smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749969260 836397089 /nfs/dbraw/zinc/39/70/89/836397089.db2.gz UCKFRBLYKLCZBV-NSHDSACASA-N 1 2 368.419 0.619 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749969260 836397102 /nfs/dbraw/zinc/39/71/02/836397102.db2.gz UCKFRBLYKLCZBV-NSHDSACASA-N 1 2 368.419 0.619 20 5 FCBDLO Cn1cc[nH+]c1CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001123997690 848664738 /nfs/dbraw/zinc/66/47/38/848664738.db2.gz PJFZGXCIPCCWQN-UHFFFAOYSA-N 1 2 352.372 0.704 20 5 FCBDLO CCOCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC001128341786 848741147 /nfs/dbraw/zinc/74/11/47/848741147.db2.gz PCHZXSUGMHUVSE-ZIAGYGMSSA-N 1 2 351.407 0.407 20 5 FCBDLO CCOCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC001128341786 848741148 /nfs/dbraw/zinc/74/11/48/848741148.db2.gz PCHZXSUGMHUVSE-ZIAGYGMSSA-N 1 2 351.407 0.407 20 5 FCBDLO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cnns2)CC1 ZINC001151121820 849677584 /nfs/dbraw/zinc/67/75/84/849677584.db2.gz UPLCVAAOFQYSIA-CHWSQXEVSA-N 1 2 369.447 0.691 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155194473 849836260 /nfs/dbraw/zinc/83/62/60/849836260.db2.gz PRIKMHXFLPOAMN-MRVPVSSYSA-N 1 2 359.770 0.957 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155194473 849836268 /nfs/dbraw/zinc/83/62/68/849836268.db2.gz PRIKMHXFLPOAMN-MRVPVSSYSA-N 1 2 359.770 0.957 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC001158253847 850029636 /nfs/dbraw/zinc/02/96/36/850029636.db2.gz FSAFSEJSGBXHFH-RQJHMYQMSA-N 1 2 373.753 0.530 20 5 FCBDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001160692732 850192286 /nfs/dbraw/zinc/19/22/86/850192286.db2.gz MZOYFAJVQKQOBY-SNVBAGLBSA-N 1 2 350.291 0.828 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])cn1 ZINC001163412254 850366946 /nfs/dbraw/zinc/36/69/46/850366946.db2.gz KROJTZACIITSIK-VIFPVBQESA-N 1 2 355.738 0.500 20 5 FCBDLO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncnc2[nH]nc(Br)c21 ZINC001226664859 857120212 /nfs/dbraw/zinc/12/02/12/857120212.db2.gz AOHKNRARYPCRPW-SSDOTTSWSA-N 1 2 359.204 0.478 20 5 FCBDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1cccs1 ZINC001227258987 857152787 /nfs/dbraw/zinc/15/27/87/857152787.db2.gz ZRMUMUCKMBWUMJ-ZIAGYGMSSA-N 1 2 366.443 0.610 20 5 FCBDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258323 857152808 /nfs/dbraw/zinc/15/28/08/857152808.db2.gz OADKSWXMPJPWQU-GHMZBOCLSA-N 1 2 366.340 0.253 20 5 FCBDLO CC(C)S(=O)(=O)CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258136 857153116 /nfs/dbraw/zinc/15/31/16/857153116.db2.gz LIYJYQBOCPHVAY-ZIAGYGMSSA-N 1 2 361.464 0.446 20 5 FCBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001319998138 868054244 /nfs/dbraw/zinc/05/42/44/868054244.db2.gz DMSPSUZZDYCESK-ZDUSSCGKSA-N 1 2 350.375 0.080 20 5 FCBDLO CN(C)c1cc(F)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000295457570 214299199 /nfs/dbraw/zinc/29/91/99/214299199.db2.gz OBYRXZSPTLDHDY-NSHDSACASA-N 1 2 351.382 0.530 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000265663009 210191562 /nfs/dbraw/zinc/19/15/62/210191562.db2.gz SJSYMFOYFJYHLR-LBPRGKRZSA-N 1 2 373.431 0.850 20 5 FCBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265272302 210085879 /nfs/dbraw/zinc/08/58/79/210085879.db2.gz XNVNVHPUUPQXAD-GFCCVEGCSA-N 1 2 370.431 0.558 20 5 FCBDLO CN(C(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265272302 210085883 /nfs/dbraw/zinc/08/58/83/210085883.db2.gz XNVNVHPUUPQXAD-GFCCVEGCSA-N 1 2 370.431 0.558 20 5 FCBDLO CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000332170283 215104942 /nfs/dbraw/zinc/10/49/42/215104942.db2.gz SOUURDXYOMBRPN-QWHCGFSZSA-N 1 2 351.407 0.994 20 5 FCBDLO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332284952 215122266 /nfs/dbraw/zinc/12/22/66/215122266.db2.gz KFFVNWCVLSXLQI-OAHLLOKOSA-N 1 2 362.386 0.491 20 5 FCBDLO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332284952 215122270 /nfs/dbraw/zinc/12/22/70/215122270.db2.gz KFFVNWCVLSXLQI-OAHLLOKOSA-N 1 2 362.386 0.491 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000412435572 237211444 /nfs/dbraw/zinc/21/14/44/237211444.db2.gz MDMYYRBCTFQFMH-UHFFFAOYSA-N 1 2 354.363 0.115 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000367491701 216129980 /nfs/dbraw/zinc/12/99/80/216129980.db2.gz WPLTUHOUHBWHRC-JTQLQIEISA-N 1 2 351.331 0.831 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246213734 209381188 /nfs/dbraw/zinc/38/11/88/209381188.db2.gz SIDJGYVFZBJDQO-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246213734 209381190 /nfs/dbraw/zinc/38/11/90/209381190.db2.gz SIDJGYVFZBJDQO-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000368322176 216233453 /nfs/dbraw/zinc/23/34/53/216233453.db2.gz AENGNAWXMDPLGM-OAHLLOKOSA-N 1 2 367.431 0.510 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189080702 209244170 /nfs/dbraw/zinc/24/41/70/209244170.db2.gz WNRPMCOYNCSFHU-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189080702 209244175 /nfs/dbraw/zinc/24/41/75/209244175.db2.gz WNRPMCOYNCSFHU-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO COc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000276908571 212306247 /nfs/dbraw/zinc/30/62/47/212306247.db2.gz OOYJRKYSDKVXNA-AWEZNQCLSA-N 1 2 367.402 0.677 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000042985508 205099035 /nfs/dbraw/zinc/09/90/35/205099035.db2.gz AQQVNWKWJASNRN-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO CNC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000182473174 209131247 /nfs/dbraw/zinc/13/12/47/209131247.db2.gz NFHOQWLATLVMCW-HNNXBMFYSA-N 1 2 359.386 0.942 20 5 FCBDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000182473174 209131250 /nfs/dbraw/zinc/13/12/50/209131250.db2.gz NFHOQWLATLVMCW-HNNXBMFYSA-N 1 2 359.386 0.942 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375381462 217257501 /nfs/dbraw/zinc/25/75/01/217257501.db2.gz ZEIFXNPEGUTMOU-UHFFFAOYSA-N 1 2 365.386 0.600 20 5 FCBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424509981 247245128 /nfs/dbraw/zinc/24/51/28/247245128.db2.gz RBZUNLNXDYZSBP-LBPRGKRZSA-N 1 2 370.356 0.615 20 5 FCBDLO COCC(C)(C)[NH+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000424993107 247283694 /nfs/dbraw/zinc/28/36/94/247283694.db2.gz UVCLTGDFASRMCG-UHFFFAOYSA-N 1 2 352.391 0.326 20 5 FCBDLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436968196 248055237 /nfs/dbraw/zinc/05/52/37/248055237.db2.gz SYBLAOHFQJYPRJ-UHFFFAOYSA-N 1 2 362.386 0.681 20 5 FCBDLO NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000441259615 248245247 /nfs/dbraw/zinc/24/52/47/248245247.db2.gz RXGQYFDPXMQXFQ-JTQLQIEISA-N 1 2 353.404 0.972 20 5 FCBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000441259615 248245249 /nfs/dbraw/zinc/24/52/49/248245249.db2.gz RXGQYFDPXMQXFQ-JTQLQIEISA-N 1 2 353.404 0.972 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271340991 211385423 /nfs/dbraw/zinc/38/54/23/211385423.db2.gz NFHCUUZNCMMTNA-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271340991 211385432 /nfs/dbraw/zinc/38/54/32/211385432.db2.gz NFHCUUZNCMMTNA-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CSc1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000271067943 211326596 /nfs/dbraw/zinc/32/65/96/211326596.db2.gz XNQCIMSZYJHDIR-UHFFFAOYSA-N 1 2 352.416 0.868 20 5 FCBDLO CSc1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000271067943 211326602 /nfs/dbraw/zinc/32/66/02/211326602.db2.gz XNQCIMSZYJHDIR-UHFFFAOYSA-N 1 2 352.416 0.868 20 5 FCBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000269931247 211119369 /nfs/dbraw/zinc/11/93/69/211119369.db2.gz PJIPSFYPLCJCCS-UHFFFAOYSA-N 1 2 352.416 0.868 20 5 FCBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000269931247 211119375 /nfs/dbraw/zinc/11/93/75/211119375.db2.gz PJIPSFYPLCJCCS-UHFFFAOYSA-N 1 2 352.416 0.868 20 5 FCBDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000472757135 250179684 /nfs/dbraw/zinc/17/96/84/250179684.db2.gz XDHVCNYFCNXZQG-QWRGUYRKSA-N 1 2 365.369 0.404 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000473186067 250205807 /nfs/dbraw/zinc/20/58/07/250205807.db2.gz BHPGYAPBCQVUGF-WCQYABFASA-N 1 2 365.342 0.501 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000473186067 250205811 /nfs/dbraw/zinc/20/58/11/250205811.db2.gz BHPGYAPBCQVUGF-WCQYABFASA-N 1 2 365.342 0.501 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000269762920 211069569 /nfs/dbraw/zinc/06/95/69/211069569.db2.gz CLDDZQGRCRNSQU-CQSZACIVSA-N 1 2 373.431 0.217 20 5 FCBDLO COc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc([N+](=O)[O-])c1OC ZINC000269577500 211014173 /nfs/dbraw/zinc/01/41/73/211014173.db2.gz WVPUTQYDVWGGLC-LBPRGKRZSA-N 1 2 350.375 0.342 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109087384 208253408 /nfs/dbraw/zinc/25/34/08/208253408.db2.gz RADNJXRRGWMDPC-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111596800 208282806 /nfs/dbraw/zinc/28/28/06/208282806.db2.gz DOFPEIVJTAEJLL-UHFFFAOYSA-N 1 2 360.370 0.841 20 5 FCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000178604913 209054880 /nfs/dbraw/zinc/05/48/80/209054880.db2.gz DXFFUYVQVJXTJD-HNNXBMFYSA-N 1 2 356.386 0.510 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000117073476 136151355 /nfs/dbraw/zinc/15/13/55/136151355.db2.gz GFRVTJFCTPZAKI-GFCCVEGCSA-N 1 2 363.422 0.490 20 5 FCBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000179600172 209084374 /nfs/dbraw/zinc/08/43/74/209084374.db2.gz LZUSBUBRVNRRFX-CQSZACIVSA-N 1 2 354.432 0.057 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287815923 488909293 /nfs/dbraw/zinc/90/92/93/488909293.db2.gz KMZAXYQZDCYRDQ-UHFFFAOYSA-N 1 2 350.404 0.985 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000279389837 488938201 /nfs/dbraw/zinc/93/82/01/488938201.db2.gz VDKUCXKHYXHKPR-ZDUSSCGKSA-N 1 2 374.401 0.968 20 5 FCBDLO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000364386682 488953726 /nfs/dbraw/zinc/95/37/26/488953726.db2.gz POMGJUVBEYZBTE-AWEZNQCLSA-N 1 2 362.386 0.679 20 5 FCBDLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014927415 487575400 /nfs/dbraw/zinc/57/54/00/487575400.db2.gz GACNCVZXYHKZTN-UHFFFAOYSA-N 1 2 363.418 0.439 20 5 FCBDLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014927415 487575404 /nfs/dbraw/zinc/57/54/04/487575404.db2.gz GACNCVZXYHKZTN-UHFFFAOYSA-N 1 2 363.418 0.439 20 5 FCBDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026484592 487683065 /nfs/dbraw/zinc/68/30/65/487683065.db2.gz GTQOHWFSUAQYCZ-NSHDSACASA-N 1 2 350.379 0.346 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032542969 487777429 /nfs/dbraw/zinc/77/74/29/487777429.db2.gz YXMPVNSOEYPKQK-UHFFFAOYSA-N 1 2 363.418 0.548 20 5 FCBDLO COC[C@@H](C)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000038581930 487807662 /nfs/dbraw/zinc/80/76/62/487807662.db2.gz FEFMHBUDLKADJC-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO Cc1c(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000051235147 488129591 /nfs/dbraw/zinc/12/95/91/488129591.db2.gz GOJGZINTLPKXCL-UHFFFAOYSA-N 1 2 362.430 0.880 20 5 FCBDLO O=C(C[NH+]1CCC(N2CCNC2=O)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053284023 488196313 /nfs/dbraw/zinc/19/63/13/488196313.db2.gz YTUCSKOTBBNQMI-UHFFFAOYSA-N 1 2 373.413 0.974 20 5 FCBDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899481 488247668 /nfs/dbraw/zinc/24/76/68/488247668.db2.gz JTFDPDMQMYCZLQ-CQSZACIVSA-N 1 2 351.359 0.727 20 5 FCBDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899481 488247670 /nfs/dbraw/zinc/24/76/70/488247670.db2.gz JTFDPDMQMYCZLQ-CQSZACIVSA-N 1 2 351.359 0.727 20 5 FCBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000065515378 488318368 /nfs/dbraw/zinc/31/83/68/488318368.db2.gz VPYFRJOKTKIZDW-UHFFFAOYSA-N 1 2 352.416 0.950 20 5 FCBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000065515378 488318371 /nfs/dbraw/zinc/31/83/71/488318371.db2.gz VPYFRJOKTKIZDW-UHFFFAOYSA-N 1 2 352.416 0.950 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000068518234 488366612 /nfs/dbraw/zinc/36/66/12/488366612.db2.gz MLGDFQSHYFBQOL-UHFFFAOYSA-N 1 2 350.375 0.081 20 5 FCBDLO COc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268253573 488401352 /nfs/dbraw/zinc/40/13/52/488401352.db2.gz KRMSGZZBXLSKKD-NSHDSACASA-N 1 2 358.420 0.128 20 5 FCBDLO COc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268253573 488401354 /nfs/dbraw/zinc/40/13/54/488401354.db2.gz KRMSGZZBXLSKKD-NSHDSACASA-N 1 2 358.420 0.128 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078622798 488423869 /nfs/dbraw/zinc/42/38/69/488423869.db2.gz ZBQVPMOOTMDCGV-UHFFFAOYSA-N 1 2 357.370 0.994 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078622798 488423871 /nfs/dbraw/zinc/42/38/71/488423871.db2.gz ZBQVPMOOTMDCGV-UHFFFAOYSA-N 1 2 357.370 0.994 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079553905 488430628 /nfs/dbraw/zinc/43/06/28/488430628.db2.gz VAYBKSNMQYABPL-UHFFFAOYSA-N 1 2 363.418 0.311 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246781947 488475464 /nfs/dbraw/zinc/47/54/64/488475464.db2.gz RUTFXZLXLCWYBW-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000246781947 488475465 /nfs/dbraw/zinc/47/54/65/488475465.db2.gz RUTFXZLXLCWYBW-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO CC(C)c1n[nH]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000269386869 488498013 /nfs/dbraw/zinc/49/80/13/488498013.db2.gz QLIGCUBSBLYRGD-UHFFFAOYSA-N 1 2 352.395 0.287 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000103462574 488501834 /nfs/dbraw/zinc/50/18/34/488501834.db2.gz FGBQPAAJPGQWKC-CYBMUJFWSA-N 1 2 368.438 0.300 20 5 FCBDLO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000271955403 488555816 /nfs/dbraw/zinc/55/58/16/488555816.db2.gz BXXFMGSHKFGAKP-GXTWGEPZSA-N 1 2 373.431 0.300 20 5 FCBDLO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000271955403 488555817 /nfs/dbraw/zinc/55/58/17/488555817.db2.gz BXXFMGSHKFGAKP-GXTWGEPZSA-N 1 2 373.431 0.300 20 5 FCBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000272551683 488588393 /nfs/dbraw/zinc/58/83/93/488588393.db2.gz YZYKAXGOYAWHFR-UHFFFAOYSA-N 1 2 360.374 0.958 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000272856061 488611964 /nfs/dbraw/zinc/61/19/64/488611964.db2.gz RIVKUGVXOFRMOC-ZDUSSCGKSA-N 1 2 364.402 0.470 20 5 FCBDLO C[C@@H](Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[C@@H](C)[NH+]1CCOCC1 ZINC000272872785 488613347 /nfs/dbraw/zinc/61/33/47/488613347.db2.gz DODFRGCIIZYBGA-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000272891374 488614845 /nfs/dbraw/zinc/61/48/45/488614845.db2.gz ATRIJQLRCRKASN-UHFFFAOYSA-N 1 2 365.390 0.322 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000263724412 488621878 /nfs/dbraw/zinc/62/18/78/488621878.db2.gz YTQPEFAZHWTBFT-UHFFFAOYSA-N 1 2 361.358 0.725 20 5 FCBDLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273009197 488624713 /nfs/dbraw/zinc/62/47/13/488624713.db2.gz IYHMPEBKYDEXRA-CYBMUJFWSA-N 1 2 352.391 0.682 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273070506 488629668 /nfs/dbraw/zinc/62/96/68/488629668.db2.gz ZPGFOOAIGPPAJJ-BLLLJJGKSA-N 1 2 362.386 0.925 20 5 FCBDLO Cc1c(C(=O)N(C)CC[NH+]2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000263869166 488632460 /nfs/dbraw/zinc/63/24/60/488632460.db2.gz LWPIERSYZBPGJM-UHFFFAOYSA-N 1 2 374.401 0.888 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCS(C)(=O)=O ZINC000263936886 488636941 /nfs/dbraw/zinc/63/69/41/488636941.db2.gz CWFRIYWFQGWSAO-UHFFFAOYSA-N 1 2 359.404 0.908 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCS(C)(=O)=O ZINC000263936886 488636944 /nfs/dbraw/zinc/63/69/44/488636944.db2.gz CWFRIYWFQGWSAO-UHFFFAOYSA-N 1 2 359.404 0.908 20 5 FCBDLO COCC1(O)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273247970 488640255 /nfs/dbraw/zinc/64/02/55/488640255.db2.gz XZVGVXGGKWZIAS-UHFFFAOYSA-N 1 2 358.416 0.842 20 5 FCBDLO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273288243 488642138 /nfs/dbraw/zinc/64/21/38/488642138.db2.gz FFBQIMDMZPXZLK-ZDUSSCGKSA-N 1 2 366.418 0.216 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273288243 488642140 /nfs/dbraw/zinc/64/21/40/488642140.db2.gz FFBQIMDMZPXZLK-ZDUSSCGKSA-N 1 2 366.418 0.216 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000134196493 488665544 /nfs/dbraw/zinc/66/55/44/488665544.db2.gz ORVCVUPZVATMCT-AWEZNQCLSA-N 1 2 365.434 0.961 20 5 FCBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC000134880053 488669223 /nfs/dbraw/zinc/66/92/23/488669223.db2.gz VOLMGWADKIUHDL-HOTGVXAUSA-N 1 2 357.370 0.936 20 5 FCBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC000134880053 488669224 /nfs/dbraw/zinc/66/92/24/488669224.db2.gz VOLMGWADKIUHDL-HOTGVXAUSA-N 1 2 357.370 0.936 20 5 FCBDLO O=C(C[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000136869847 488679349 /nfs/dbraw/zinc/67/93/49/488679349.db2.gz CTCYZVCCAYGRKY-QGZVFWFLSA-N 1 2 362.430 0.868 20 5 FCBDLO O=C(CN1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000136869847 488679350 /nfs/dbraw/zinc/67/93/50/488679350.db2.gz CTCYZVCCAYGRKY-QGZVFWFLSA-N 1 2 362.430 0.868 20 5 FCBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699936 488682887 /nfs/dbraw/zinc/68/28/87/488682887.db2.gz ZCZDHCSKKWNHIN-WCQYABFASA-N 1 2 351.359 0.974 20 5 FCBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699936 488682889 /nfs/dbraw/zinc/68/28/89/488682889.db2.gz ZCZDHCSKKWNHIN-WCQYABFASA-N 1 2 351.359 0.974 20 5 FCBDLO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266884232 488740031 /nfs/dbraw/zinc/74/00/31/488740031.db2.gz BNFFXOBLCXBDJT-UHFFFAOYSA-N 1 2 373.369 0.978 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266885034 488740206 /nfs/dbraw/zinc/74/02/06/488740206.db2.gz ZOYSXOBSAWBPAD-LBPRGKRZSA-N 1 2 363.418 0.803 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000267141007 488764536 /nfs/dbraw/zinc/76/45/36/488764536.db2.gz NXDBAGOPLXDSMI-UHFFFAOYSA-N 1 2 364.402 0.772 20 5 FCBDLO CC(C)(CNC(=O)Cn1cc(Cl)cc([N+](=O)[O-])c1=O)[NH+]1CCOCC1 ZINC000158544376 488779221 /nfs/dbraw/zinc/77/92/21/488779221.db2.gz IZUSTZQAMKCEAE-UHFFFAOYSA-N 1 2 372.809 0.637 20 5 FCBDLO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000160387519 488790980 /nfs/dbraw/zinc/79/09/80/488790980.db2.gz YBLBZYFBLWWFJW-ZDUSSCGKSA-N 1 2 357.432 0.983 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160493351 488791693 /nfs/dbraw/zinc/79/16/93/488791693.db2.gz OIKBZHARYIFXNH-AWEZNQCLSA-N 1 2 359.386 0.959 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160493351 488791695 /nfs/dbraw/zinc/79/16/95/488791695.db2.gz OIKBZHARYIFXNH-AWEZNQCLSA-N 1 2 359.386 0.959 20 5 FCBDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277887229 488791776 /nfs/dbraw/zinc/79/17/76/488791776.db2.gz NCCFRTLETFUPKO-UHFFFAOYSA-N 1 2 359.342 0.857 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000267524727 488794017 /nfs/dbraw/zinc/79/40/17/488794017.db2.gz HLYVSICTIGCJMF-ZDUSSCGKSA-N 1 2 364.402 0.609 20 5 FCBDLO COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000267640888 488808577 /nfs/dbraw/zinc/80/85/77/488808577.db2.gz HIJFJDPOTJTTGH-LBPRGKRZSA-N 1 2 353.375 0.369 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267662667 488810542 /nfs/dbraw/zinc/81/05/42/488810542.db2.gz ZRSKZEQQINUJEV-KGLIPLIRSA-N 1 2 366.418 0.547 20 5 FCBDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000267708734 488814072 /nfs/dbraw/zinc/81/40/72/488814072.db2.gz WAANJSALFCVTNK-ZFWWWQNUSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000267708734 488814073 /nfs/dbraw/zinc/81/40/73/488814073.db2.gz WAANJSALFCVTNK-ZFWWWQNUSA-N 1 2 354.359 0.598 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173003245 488839957 /nfs/dbraw/zinc/83/99/57/488839957.db2.gz IZYFUMWEABWKSP-ZDUSSCGKSA-N 1 2 360.414 0.949 20 5 FCBDLO C[C@@H](N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000178283572 488860255 /nfs/dbraw/zinc/86/02/55/488860255.db2.gz BVLSTYIFHCTNRY-PWSUYJOCSA-N 1 2 351.329 0.721 20 5 FCBDLO COc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc([N+](=O)[O-])c1C ZINC000364576131 488974325 /nfs/dbraw/zinc/97/43/25/488974325.db2.gz DDYFGXNJMYLZKB-UHFFFAOYSA-N 1 2 350.375 0.545 20 5 FCBDLO COc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc([N+](=O)[O-])c1C ZINC000364576131 488974329 /nfs/dbraw/zinc/97/43/29/488974329.db2.gz DDYFGXNJMYLZKB-UHFFFAOYSA-N 1 2 350.375 0.545 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(C(C)=O)CC2)n1 ZINC000280663279 489023604 /nfs/dbraw/zinc/02/36/04/489023604.db2.gz BPQZSWRQRRYWQJ-UHFFFAOYSA-N 1 2 351.363 0.352 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281518949 489082910 /nfs/dbraw/zinc/08/29/10/489082910.db2.gz ZFODXAQZLXJXSD-PWSUYJOCSA-N 1 2 364.358 0.972 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281518949 489082914 /nfs/dbraw/zinc/08/29/14/489082914.db2.gz ZFODXAQZLXJXSD-PWSUYJOCSA-N 1 2 364.358 0.972 20 5 FCBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000281568326 489087410 /nfs/dbraw/zinc/08/74/10/489087410.db2.gz VEXMUEYZYOEGHW-JQWIXIFHSA-N 1 2 364.385 0.749 20 5 FCBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000281568326 489087413 /nfs/dbraw/zinc/08/74/13/489087413.db2.gz VEXMUEYZYOEGHW-JQWIXIFHSA-N 1 2 364.385 0.749 20 5 FCBDLO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000369583041 489254940 /nfs/dbraw/zinc/25/49/40/489254940.db2.gz RQBPFLUXYNXJBT-AWEZNQCLSA-N 1 2 362.386 0.679 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(S(N)(=O)=O)CC1 ZINC000298065771 489285221 /nfs/dbraw/zinc/28/52/21/489285221.db2.gz KEAMEABBAAGJLB-UHFFFAOYSA-N 1 2 371.419 0.053 20 5 FCBDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000298180421 489300476 /nfs/dbraw/zinc/30/04/76/489300476.db2.gz VLXBGRITRYJTJB-UHFFFAOYSA-N 1 2 362.390 0.442 20 5 FCBDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000298674223 489351788 /nfs/dbraw/zinc/35/17/88/489351788.db2.gz RORJMFTYRRLFFP-GFCCVEGCSA-N 1 2 350.375 0.367 20 5 FCBDLO COC(=O)c1cc(C)nc(NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000286172269 489364923 /nfs/dbraw/zinc/36/49/23/489364923.db2.gz KGFIJUHFWMJWOY-UHFFFAOYSA-N 1 2 351.363 0.319 20 5 FCBDLO COC(=O)c1cc(C)nc(NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000286172269 489364925 /nfs/dbraw/zinc/36/49/25/489364925.db2.gz KGFIJUHFWMJWOY-UHFFFAOYSA-N 1 2 351.363 0.319 20 5 FCBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000362636571 489390766 /nfs/dbraw/zinc/39/07/66/489390766.db2.gz PDZNXIAATAHXON-HNNXBMFYSA-N 1 2 369.443 0.874 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286498596 489397534 /nfs/dbraw/zinc/39/75/34/489397534.db2.gz YAQFVDNYSWASLL-DGCLKSJQSA-N 1 2 370.431 0.542 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000370853527 489412323 /nfs/dbraw/zinc/41/23/23/489412323.db2.gz DWIKYPWXYZNSFD-CYBMUJFWSA-N 1 2 370.329 0.507 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])ccc1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000299402200 489438202 /nfs/dbraw/zinc/43/82/02/489438202.db2.gz LFAAAAFOIWJHTC-UHFFFAOYSA-N 1 2 357.370 0.890 20 5 FCBDLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000286887088 489439678 /nfs/dbraw/zinc/43/96/78/489439678.db2.gz OMCJZNDOPDNSQM-UHFFFAOYSA-N 1 2 372.385 0.293 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148318 489551945 /nfs/dbraw/zinc/55/19/45/489551945.db2.gz FHJVHNXXDYDPNN-ZIAGYGMSSA-N 1 2 368.415 0.324 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148318 489551947 /nfs/dbraw/zinc/55/19/47/489551947.db2.gz FHJVHNXXDYDPNN-ZIAGYGMSSA-N 1 2 368.415 0.324 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372150904 489552099 /nfs/dbraw/zinc/55/20/99/489552099.db2.gz YCZXXSSNVAODOE-CYBMUJFWSA-N 1 2 357.388 0.585 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372150904 489552103 /nfs/dbraw/zinc/55/21/03/489552103.db2.gz YCZXXSSNVAODOE-CYBMUJFWSA-N 1 2 357.388 0.585 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000416585471 489614585 /nfs/dbraw/zinc/61/45/85/489614585.db2.gz NNNXXVGUVKFSNT-LLVKDONJSA-N 1 2 357.388 0.320 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000416585471 489614586 /nfs/dbraw/zinc/61/45/86/489614586.db2.gz NNNXXVGUVKFSNT-LLVKDONJSA-N 1 2 357.388 0.320 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000428353823 489645171 /nfs/dbraw/zinc/64/51/71/489645171.db2.gz WKBGJTIRWOFKKL-ZDUSSCGKSA-N 1 2 357.370 0.961 20 5 FCBDLO O=C1[C@H]([N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459503401 489735872 /nfs/dbraw/zinc/73/58/72/489735872.db2.gz LIKABVRWWFCPHY-ZNMIVQPWSA-N 1 2 360.370 0.289 20 5 FCBDLO O=C1[C@H]([N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459503401 489735877 /nfs/dbraw/zinc/73/58/77/489735877.db2.gz LIKABVRWWFCPHY-ZNMIVQPWSA-N 1 2 360.370 0.289 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537429 489750135 /nfs/dbraw/zinc/75/01/35/489750135.db2.gz CACWVWCKSLSFSE-KBPBESRZSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537429 489750140 /nfs/dbraw/zinc/75/01/40/489750140.db2.gz CACWVWCKSLSFSE-KBPBESRZSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000564021830 491284490 /nfs/dbraw/zinc/28/44/90/491284490.db2.gz OMWNRFWFFPWOPA-UHFFFAOYSA-N 1 2 371.415 0.773 20 5 FCBDLO O=C(NCc1ncc[nH]1)c1cc(C(=O)NCc2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000461644067 489926942 /nfs/dbraw/zinc/92/69/42/489926942.db2.gz ZDKQCWPBDUZXKD-UHFFFAOYSA-N 1 2 369.341 0.901 20 5 FCBDLO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477104673 489943264 /nfs/dbraw/zinc/94/32/64/489943264.db2.gz ZGKPDIVGGBYIJR-UHFFFAOYSA-N 1 2 366.418 0.420 20 5 FCBDLO CNc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000462764595 489991507 /nfs/dbraw/zinc/99/15/07/489991507.db2.gz GPJJHKUCJJMCLD-GFCCVEGCSA-N 1 2 352.391 0.402 20 5 FCBDLO CC[C@@H](C)NC(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420996998 490041143 /nfs/dbraw/zinc/04/11/43/490041143.db2.gz AZIALKYYQWCWGD-GFCCVEGCSA-N 1 2 372.447 0.720 20 5 FCBDLO CC[C@@H](C)NC(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420996998 490041147 /nfs/dbraw/zinc/04/11/47/490041147.db2.gz AZIALKYYQWCWGD-GFCCVEGCSA-N 1 2 372.447 0.720 20 5 FCBDLO C[C@H](C(=O)N(C)C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421025996 490044486 /nfs/dbraw/zinc/04/44/86/490044486.db2.gz RLMXZSIPJFYTRI-LLVKDONJSA-N 1 2 358.420 0.282 20 5 FCBDLO C[C@H](C(=O)N(C)C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421025996 490044488 /nfs/dbraw/zinc/04/44/88/490044488.db2.gz RLMXZSIPJFYTRI-LLVKDONJSA-N 1 2 358.420 0.282 20 5 FCBDLO C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCOCC1 ZINC000465032056 490076677 /nfs/dbraw/zinc/07/66/77/490076677.db2.gz VWZQYWKPSOIAJN-LBPRGKRZSA-N 1 2 365.386 0.745 20 5 FCBDLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444602717 490096910 /nfs/dbraw/zinc/09/69/10/490096910.db2.gz LWEZNSCMUOHSJH-JTQLQIEISA-N 1 2 368.419 0.476 20 5 FCBDLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444602717 490096920 /nfs/dbraw/zinc/09/69/20/490096920.db2.gz LWEZNSCMUOHSJH-JTQLQIEISA-N 1 2 368.419 0.476 20 5 FCBDLO CN(CC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000496119493 490105920 /nfs/dbraw/zinc/10/59/20/490105920.db2.gz LMMUWZZYYHAPLU-UHFFFAOYSA-N 1 2 366.418 0.184 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c([N+](=O)[O-])n1 ZINC000532765305 490111046 /nfs/dbraw/zinc/11/10/46/490111046.db2.gz GIUHPZFSBVUMBN-UHFFFAOYSA-N 1 2 352.376 0.851 20 5 FCBDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532974357 490149359 /nfs/dbraw/zinc/14/93/59/490149359.db2.gz MHKMEZNAIHVRMW-UHFFFAOYSA-N 1 2 364.358 0.816 20 5 FCBDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532974357 490149365 /nfs/dbraw/zinc/14/93/65/490149365.db2.gz MHKMEZNAIHVRMW-UHFFFAOYSA-N 1 2 364.358 0.816 20 5 FCBDLO CS(=O)(=O)c1cccc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000497514865 490172404 /nfs/dbraw/zinc/17/24/04/490172404.db2.gz FUQXZLCGJFCXTK-LBPRGKRZSA-N 1 2 370.431 0.750 20 5 FCBDLO CS(=O)(=O)c1cccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000497514865 490172409 /nfs/dbraw/zinc/17/24/09/490172409.db2.gz FUQXZLCGJFCXTK-LBPRGKRZSA-N 1 2 370.431 0.750 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466924473 490225811 /nfs/dbraw/zinc/22/58/11/490225811.db2.gz AHQYUXHJMVRDBC-QWRGUYRKSA-N 1 2 365.390 0.934 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466924473 490225813 /nfs/dbraw/zinc/22/58/13/490225813.db2.gz AHQYUXHJMVRDBC-QWRGUYRKSA-N 1 2 365.390 0.934 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000497927768 490232427 /nfs/dbraw/zinc/23/24/27/490232427.db2.gz OYOATQVFRYJGSH-UHFFFAOYSA-N 1 2 359.386 0.940 20 5 FCBDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533515517 490245769 /nfs/dbraw/zinc/24/57/69/490245769.db2.gz SWISBRVGOWGCIC-GFCCVEGCSA-N 1 2 364.406 0.958 20 5 FCBDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533515517 490245777 /nfs/dbraw/zinc/24/57/77/490245777.db2.gz SWISBRVGOWGCIC-GFCCVEGCSA-N 1 2 364.406 0.958 20 5 FCBDLO CCn1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])n1 ZINC000533636500 490271740 /nfs/dbraw/zinc/27/17/40/490271740.db2.gz BLBRFHMEFWJDES-NSHDSACASA-N 1 2 366.403 0.763 20 5 FCBDLO O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000547326503 490279491 /nfs/dbraw/zinc/27/94/91/490279491.db2.gz IPKKRYWRXCJMAH-UHFFFAOYSA-N 1 2 372.447 0.648 20 5 FCBDLO CC(C)C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000547727933 490347339 /nfs/dbraw/zinc/34/73/39/490347339.db2.gz MEWDHLQUZUKILD-GFCCVEGCSA-N 1 2 351.407 1.049 20 5 FCBDLO Cc1c(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000522268758 490364215 /nfs/dbraw/zinc/36/42/15/490364215.db2.gz XNCWPCCSSMQNJL-GFCCVEGCSA-N 1 2 374.401 0.934 20 5 FCBDLO Cc1c(C(=O)NCC[N@H+]2CCO[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000522268758 490364221 /nfs/dbraw/zinc/36/42/21/490364221.db2.gz XNCWPCCSSMQNJL-GFCCVEGCSA-N 1 2 374.401 0.934 20 5 FCBDLO CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000548009465 490405201 /nfs/dbraw/zinc/40/52/01/490405201.db2.gz YIIKSFNPXZFVPO-NSHDSACASA-N 1 2 366.403 0.780 20 5 FCBDLO Cn1c[nH+]cc1CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000548132389 490426537 /nfs/dbraw/zinc/42/65/37/490426537.db2.gz QDGOCBRNUOLWRK-UHFFFAOYSA-N 1 2 359.342 0.413 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CCOC3)c([N+](=O)[O-])c2)CC1 ZINC000468749007 490443772 /nfs/dbraw/zinc/44/37/72/490443772.db2.gz YZCGCZBHNKDBIF-LBPRGKRZSA-N 1 2 370.431 0.732 20 5 FCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000468785487 490448041 /nfs/dbraw/zinc/44/80/41/490448041.db2.gz BNVOBPPUMHTVLL-AAEUAGOBSA-N 1 2 368.438 0.664 20 5 FCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000468785487 490448048 /nfs/dbraw/zinc/44/80/48/490448048.db2.gz BNVOBPPUMHTVLL-AAEUAGOBSA-N 1 2 368.438 0.664 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523984191 490507046 /nfs/dbraw/zinc/50/70/46/490507046.db2.gz HNKQXZIEUHNXBO-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523984191 490507050 /nfs/dbraw/zinc/50/70/50/490507050.db2.gz HNKQXZIEUHNXBO-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000524512633 490541830 /nfs/dbraw/zinc/54/18/30/490541830.db2.gz KGDSSHBVAQTZHV-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000524512633 490541834 /nfs/dbraw/zinc/54/18/34/490541834.db2.gz KGDSSHBVAQTZHV-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000537408922 490676646 /nfs/dbraw/zinc/67/66/46/490676646.db2.gz QCGSJCHRWZFLKW-UHFFFAOYSA-N 1 2 364.402 0.182 20 5 FCBDLO COc1cc[nH+]cc1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000538348165 490727760 /nfs/dbraw/zinc/72/77/60/490727760.db2.gz KFDDHQSIBBODFU-UHFFFAOYSA-N 1 2 366.355 0.915 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000503196584 490743852 /nfs/dbraw/zinc/74/38/52/490743852.db2.gz BYGQSJZYYBQVNF-UHFFFAOYSA-N 1 2 366.374 0.069 20 5 FCBDLO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542064727 490884126 /nfs/dbraw/zinc/88/41/26/490884126.db2.gz YIJXWRYZFWOJLJ-NSHDSACASA-N 1 2 366.374 0.379 20 5 FCBDLO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000542064727 490884129 /nfs/dbraw/zinc/88/41/29/490884129.db2.gz YIJXWRYZFWOJLJ-NSHDSACASA-N 1 2 366.374 0.379 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000518284772 490935737 /nfs/dbraw/zinc/93/57/37/490935737.db2.gz NQABEOAZBRGUBW-UHFFFAOYSA-N 1 2 359.390 0.275 20 5 FCBDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531883158 490979019 /nfs/dbraw/zinc/97/90/19/490979019.db2.gz WDZLVUCLVKTOSB-UHFFFAOYSA-N 1 2 361.402 0.664 20 5 FCBDLO CN(C)S(=O)(=O)c1ccc(NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000531909341 490980411 /nfs/dbraw/zinc/98/04/11/490980411.db2.gz AYDOTHNEGIRHIF-UHFFFAOYSA-N 1 2 358.420 0.589 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+]2CCOCC2)n1 ZINC000557588668 491384916 /nfs/dbraw/zinc/38/49/16/491384916.db2.gz PHCYAZLBWFMELU-HNNXBMFYSA-N 1 2 354.363 0.272 20 5 FCBDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000557875516 491403275 /nfs/dbraw/zinc/40/32/75/491403275.db2.gz FPOTUWFPPNZJPM-CYBMUJFWSA-N 1 2 364.358 0.287 20 5 FCBDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000557875516 491403276 /nfs/dbraw/zinc/40/32/76/491403276.db2.gz FPOTUWFPPNZJPM-CYBMUJFWSA-N 1 2 364.358 0.287 20 5 FCBDLO COC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@H](OC)C1 ZINC000574881207 491525820 /nfs/dbraw/zinc/52/58/20/491525820.db2.gz KWDZLQRIZWKEOQ-CYUUQNCZSA-N 1 2 370.406 0.489 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCCN3)c([N+](=O)[O-])c2)CC1 ZINC000584494918 491597595 /nfs/dbraw/zinc/59/75/95/491597595.db2.gz HPWNKSZMEVTOAE-UHFFFAOYSA-N 1 2 369.447 0.636 20 5 FCBDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000578394927 491676258 /nfs/dbraw/zinc/67/62/58/491676258.db2.gz KHKHAVGFQQOUOZ-UHFFFAOYSA-N 1 2 368.371 0.621 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587062706 491734794 /nfs/dbraw/zinc/73/47/94/491734794.db2.gz XEPFYWPQVDMMRT-JTQLQIEISA-N 1 2 365.371 0.184 20 5 FCBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587972559 491736191 /nfs/dbraw/zinc/73/61/91/491736191.db2.gz UNJITTYUTRKZTD-LBPRGKRZSA-N 1 2 362.434 0.833 20 5 FCBDLO NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000582742084 491824743 /nfs/dbraw/zinc/82/47/43/491824743.db2.gz RYOJROTXGQWFFL-CHWSQXEVSA-N 1 2 354.388 0.063 20 5 FCBDLO NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000582742084 491824744 /nfs/dbraw/zinc/82/47/44/491824744.db2.gz RYOJROTXGQWFFL-CHWSQXEVSA-N 1 2 354.388 0.063 20 5 FCBDLO C[C@H](O)CNc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc[nH+]1 ZINC000582772171 491825931 /nfs/dbraw/zinc/82/59/31/491825931.db2.gz LVBLCMCKMJBPPU-LBPRGKRZSA-N 1 2 359.390 0.899 20 5 FCBDLO C[C@H](O)CNc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH+]cn1 ZINC000582772171 491825932 /nfs/dbraw/zinc/82/59/32/491825932.db2.gz LVBLCMCKMJBPPU-LBPRGKRZSA-N 1 2 359.390 0.899 20 5 FCBDLO CC(C)OCc1nc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000582994074 491835586 /nfs/dbraw/zinc/83/55/86/491835586.db2.gz JKHWQCNOAPWZBV-ZYHUDNBSSA-N 1 2 354.367 0.811 20 5 FCBDLO Cn1c[nH+]c(CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000583138226 491838869 /nfs/dbraw/zinc/83/88/69/491838869.db2.gz HLOIDSNGCPIGHH-UHFFFAOYSA-N 1 2 357.370 0.572 20 5 FCBDLO COC(=O)c1ccnc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c1[N+](=O)[O-] ZINC000598603915 492107719 /nfs/dbraw/zinc/10/77/19/492107719.db2.gz LJRRZQSUIQAKRW-UHFFFAOYSA-N 1 2 351.363 0.162 20 5 FCBDLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000598601646 492107725 /nfs/dbraw/zinc/10/77/25/492107725.db2.gz LIHNQECXRHXWDK-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000598601646 492107727 /nfs/dbraw/zinc/10/77/27/492107727.db2.gz LIHNQECXRHXWDK-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000598616809 492109360 /nfs/dbraw/zinc/10/93/60/492109360.db2.gz YKOFXBQJLSPTIH-CYBMUJFWSA-N 1 2 355.416 0.651 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000598616809 492109361 /nfs/dbraw/zinc/10/93/61/492109361.db2.gz YKOFXBQJLSPTIH-CYBMUJFWSA-N 1 2 355.416 0.651 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599645634 492196214 /nfs/dbraw/zinc/19/62/14/492196214.db2.gz BTTSYPDJZMVLOK-UHFFFAOYSA-N 1 2 371.419 0.099 20 5 FCBDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609178385 492199799 /nfs/dbraw/zinc/19/97/99/492199799.db2.gz WLOKLJBMVHXLNR-LBPRGKRZSA-N 1 2 374.401 0.934 20 5 FCBDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609178385 492199802 /nfs/dbraw/zinc/19/98/02/492199802.db2.gz WLOKLJBMVHXLNR-LBPRGKRZSA-N 1 2 374.401 0.934 20 5 FCBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000610113613 492234730 /nfs/dbraw/zinc/23/47/30/492234730.db2.gz FDDRATDJSOIIAE-UHFFFAOYSA-N 1 2 360.374 0.653 20 5 FCBDLO Cn1cccc1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611184949 492280992 /nfs/dbraw/zinc/28/09/92/492280992.db2.gz HAWFBAXSIDVIFB-UHFFFAOYSA-N 1 2 359.386 0.553 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000611234128 492282413 /nfs/dbraw/zinc/28/24/13/492282413.db2.gz VJCIFSTYPYQSFZ-CQSZACIVSA-N 1 2 355.420 0.266 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])n1 ZINC000611540717 492289919 /nfs/dbraw/zinc/28/99/19/492289919.db2.gz QCISXCUYDCTFOU-NWDGAFQWSA-N 1 2 373.435 0.031 20 5 FCBDLO CN(C(=O)C[N@H+](CCO)CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000444400151 535982022 /nfs/dbraw/zinc/98/20/22/535982022.db2.gz QXOUYEGCMBVGMI-UHFFFAOYSA-N 1 2 366.418 0.184 20 5 FCBDLO CN(C(=O)C[N@@H+](CCO)CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000444400151 535982025 /nfs/dbraw/zinc/98/20/25/535982025.db2.gz QXOUYEGCMBVGMI-UHFFFAOYSA-N 1 2 366.418 0.184 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193575 546946148 /nfs/dbraw/zinc/94/61/48/546946148.db2.gz BIRCKEFOGQPQSU-MISXGVKJSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193575 546946150 /nfs/dbraw/zinc/94/61/50/546946150.db2.gz BIRCKEFOGQPQSU-MISXGVKJSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592200360 546946672 /nfs/dbraw/zinc/94/66/72/546946672.db2.gz WANPNFIQURPSTQ-GYSYKLTISA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592200360 546946678 /nfs/dbraw/zinc/94/66/78/546946678.db2.gz WANPNFIQURPSTQ-GYSYKLTISA-N 1 2 351.359 0.778 20 5 FCBDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825451138 607654714 /nfs/dbraw/zinc/65/47/14/607654714.db2.gz GGKDQFZSCHCBBD-VIFPVBQESA-N 1 2 367.391 0.147 20 5 FCBDLO CC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000825451138 607654715 /nfs/dbraw/zinc/65/47/15/607654715.db2.gz GGKDQFZSCHCBBD-VIFPVBQESA-N 1 2 367.391 0.147 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000823620394 606714044 /nfs/dbraw/zinc/71/40/44/606714044.db2.gz KPZWJANWZYLWGY-LLVKDONJSA-N 1 2 360.378 0.328 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000823619810 607163167 /nfs/dbraw/zinc/16/31/67/607163167.db2.gz BGLXIMFEODIJCQ-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826034639 608565508 /nfs/dbraw/zinc/56/55/08/608565508.db2.gz UHZKCOWXMLVASA-SECBINFHSA-N 1 2 367.391 0.147 20 5 FCBDLO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826034639 608565509 /nfs/dbraw/zinc/56/55/09/608565509.db2.gz UHZKCOWXMLVASA-SECBINFHSA-N 1 2 367.391 0.147 20 5 FCBDLO Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775354 664189278 /nfs/dbraw/zinc/18/92/78/664189278.db2.gz ROTWXVOOLUHLGU-ZMHPAJMFSA-N 1 2 353.810 0.594 20 5 FCBDLO Cc1nn(C)c(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775354 664189279 /nfs/dbraw/zinc/18/92/79/664189279.db2.gz ROTWXVOOLUHLGU-ZMHPAJMFSA-N 1 2 353.810 0.594 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040701098 666613955 /nfs/dbraw/zinc/61/39/55/666613955.db2.gz TZHKPYOBKCJGHC-CHWSQXEVSA-N 1 2 359.448 0.011 20 5 FCBDLO Cc1cc(F)cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000151763064 666644816 /nfs/dbraw/zinc/64/48/16/666644816.db2.gz NIHTYPUVHVQZMF-CYBMUJFWSA-N 1 2 355.366 0.807 20 5 FCBDLO C[NH+]1CCC(ONC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000773547068 668096945 /nfs/dbraw/zinc/09/69/45/668096945.db2.gz ONPARKMFHDXURU-UHFFFAOYSA-N 1 2 368.415 0.928 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000779563856 668428944 /nfs/dbraw/zinc/42/89/44/668428944.db2.gz IZFLEJYHUCWANH-NSHDSACASA-N 1 2 350.335 0.044 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787211224 668790841 /nfs/dbraw/zinc/79/08/41/668790841.db2.gz HIGVCLWFRQDDDV-LLVKDONJSA-N 1 2 350.375 0.886 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787211224 668790844 /nfs/dbraw/zinc/79/08/44/668790844.db2.gz HIGVCLWFRQDDDV-LLVKDONJSA-N 1 2 350.375 0.886 20 5 FCBDLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000789599404 668861977 /nfs/dbraw/zinc/86/19/77/668861977.db2.gz GIQKNSFJGVOBDO-UHFFFAOYSA-N 1 2 351.710 0.901 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000812838766 669817949 /nfs/dbraw/zinc/81/79/49/669817949.db2.gz VRKZKTDMWFACCR-UHFFFAOYSA-N 1 2 353.375 0.945 20 5 FCBDLO CCCn1ncnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399752 676070889 /nfs/dbraw/zinc/07/08/89/676070889.db2.gz NHCIEKJPLWRYCM-ZIAGYGMSSA-N 1 2 350.423 0.682 20 5 FCBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC001045436169 675653561 /nfs/dbraw/zinc/65/35/61/675653561.db2.gz LDCSYTOJDRYPAP-ZIAGYGMSSA-N 1 2 352.435 0.681 20 5 FCBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2noc(C3CCOCC3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063767 1170549424 /nfs/dbraw/zinc/54/94/24/1170549424.db2.gz LXLKYMWHDAZMKU-YVECIDJPSA-N 1 2 365.390 0.366 20 5 FCBDLO Cn1cc(C[NH+]2CCN(C(=O)CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000551835085 1171751490 /nfs/dbraw/zinc/75/14/90/1171751490.db2.gz IEOKTXGJRPDGSZ-UHFFFAOYSA-N 1 2 359.386 0.632 20 5 FCBDLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782870176 1182108998 /nfs/dbraw/zinc/10/89/98/1182108998.db2.gz ISDARSVZXYVVPX-OAHLLOKOSA-N 1 2 366.378 0.343 20 5 FCBDLO O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC000974114540 1183002044 /nfs/dbraw/zinc/00/20/44/1183002044.db2.gz IIVQGMDGHKZMQD-NDPMZMCLSA-N 1 2 370.369 0.310 20 5 FCBDLO CCn1nnc(C)c1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764851 1186513573 /nfs/dbraw/zinc/51/35/73/1186513573.db2.gz HDLQZJFWOCWISK-ZIAGYGMSSA-N 1 2 362.434 0.696 20 5 FCBDLO CCn1nnc(C)c1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764851 1186513579 /nfs/dbraw/zinc/51/35/79/1186513579.db2.gz HDLQZJFWOCWISK-ZIAGYGMSSA-N 1 2 362.434 0.696 20 5 FCBDLO COc1ccccc1-c1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126939218 1194627643 /nfs/dbraw/zinc/62/76/43/1194627643.db2.gz SIARSAZFIUMQIY-VXGBXAGGSA-N 1 2 361.358 0.616 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2nc(-c3ccccc3)no2)c1 ZINC000592432111 1196621561 /nfs/dbraw/zinc/62/15/61/1196621561.db2.gz ORCWXSUEBDCCHQ-KGLIPLIRSA-N 1 2 374.357 0.525 20 5 FCBDLO Nc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000761707024 1197771136 /nfs/dbraw/zinc/77/11/36/1197771136.db2.gz NLKCFGYXFPNHOT-CQSZACIVSA-N 1 2 364.402 0.740 20 5 FCBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccco3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363325 1198327941 /nfs/dbraw/zinc/32/79/41/1198327941.db2.gz OCHFEHIRVSKZLR-DDHJBXDOSA-N 1 2 361.358 0.979 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000808077406 1202872073 /nfs/dbraw/zinc/87/20/73/1202872073.db2.gz QEBODNGIZDQDHC-LLVKDONJSA-N 1 2 359.386 0.962 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC(C1CC1)C1CC1 ZINC001195761995 1208037885 /nfs/dbraw/zinc/03/78/85/1208037885.db2.gz VDWDDFLNHLLURK-HUUCEWRRSA-N 1 2 364.446 0.491 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC(C1CC1)C1CC1 ZINC001195761995 1208037888 /nfs/dbraw/zinc/03/78/88/1208037888.db2.gz VDWDDFLNHLLURK-HUUCEWRRSA-N 1 2 364.446 0.491 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934322147 1211861310 /nfs/dbraw/zinc/86/13/10/1211861310.db2.gz JDHDOAKBEHPKSN-ULQDDVLXSA-N 1 2 363.414 0.850 20 5 FCBDLO Cn1cc[nH+]c1CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019015313 1214179703 /nfs/dbraw/zinc/17/97/03/1214179703.db2.gz QXPMZUJBCAVAJO-CHWSQXEVSA-N 1 2 361.402 0.079 20 5 FCBDLO CC(=O)NCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001019811591 1214306643 /nfs/dbraw/zinc/30/66/43/1214306643.db2.gz MKEQNNODJYJBFE-IAGOWNOFSA-N 1 2 360.414 0.632 20 5 FCBDLO CCc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)n1C ZINC001050517361 1216329142 /nfs/dbraw/zinc/32/91/42/1216329142.db2.gz PWUBRDVTSFVDBN-CHWSQXEVSA-N 1 2 362.434 0.467 20 5 FCBDLO O=C(NCc1cnn2c1C[N@@H+](CC1CCOCC1)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001069860690 1216806311 /nfs/dbraw/zinc/80/63/11/1216806311.db2.gz FBFXEOAANRDYRR-HUUCEWRRSA-N 1 2 363.418 0.407 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCc2ccc3c(c2)OCCO3)C1 ZINC001042705896 1217446776 /nfs/dbraw/zinc/44/67/76/1217446776.db2.gz PGGZNBPODCXIPL-HUUCEWRRSA-N 1 2 361.398 0.808 20 5 FCBDLO Cn1nncc1C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000803487121 1218414783 /nfs/dbraw/zinc/41/47/83/1218414783.db2.gz ZMXWFLXYZLMYFR-UHFFFAOYSA-N 1 2 356.298 0.949 20 5 FCBDLO Cc1ccc(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001055511299 1219063624 /nfs/dbraw/zinc/06/36/24/1219063624.db2.gz ZBUPQNYKZKZXIA-ZIAGYGMSSA-N 1 2 364.402 0.564 20 5 FCBDLO CC(=O)CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575614 1219084452 /nfs/dbraw/zinc/08/44/52/1219084452.db2.gz ZSDAZIOCRUCLFK-HUUCEWRRSA-N 1 2 368.434 0.108 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001118280937 1221750228 /nfs/dbraw/zinc/75/02/28/1221750228.db2.gz BNDYOKAUMWQMEG-OAHLLOKOSA-N 1 2 373.369 0.758 20 5 FCBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001154930969 1223021072 /nfs/dbraw/zinc/02/10/72/1223021072.db2.gz HVHPXENALRYQRD-MRXNPFEDSA-N 1 2 364.402 0.251 20 5 FCBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001154930969 1223021074 /nfs/dbraw/zinc/02/10/74/1223021074.db2.gz HVHPXENALRYQRD-MRXNPFEDSA-N 1 2 364.402 0.251 20 5 FCBDLO COC(=O)c1cnc(N[C@H](Cc2c[nH+]cn2C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001160692124 1223168855 /nfs/dbraw/zinc/16/88/55/1223168855.db2.gz CTTYUVXQEAJWLT-LLVKDONJSA-N 1 2 363.330 0.706 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2nc(C)no2)CC1 ZINC001162264655 1223211904 /nfs/dbraw/zinc/21/19/04/1223211904.db2.gz QRPZWTFZSXYNCA-CHWSQXEVSA-N 1 2 367.406 0.388 20 5 FCBDLO CCCCn1nnnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433030 1248920692 /nfs/dbraw/zinc/92/06/92/1248920692.db2.gz IIUXWQGDOOLPLK-ZIAGYGMSSA-N 1 2 365.438 0.561 20 5 FCBDLO CCCCn1nnnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433030 1248920698 /nfs/dbraw/zinc/92/06/98/1248920698.db2.gz IIUXWQGDOOLPLK-ZIAGYGMSSA-N 1 2 365.438 0.561 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257512 1245618597 /nfs/dbraw/zinc/61/85/97/1245618597.db2.gz AYUMZXSLVHYGNW-GFCCVEGCSA-N 1 2 364.402 0.742 20 5 FCBDLO CCn1ncnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589365 1247905578 /nfs/dbraw/zinc/90/55/78/1247905578.db2.gz VQMCGCWNEJCCPS-LXTVHRRPSA-N 1 2 362.434 0.634 20 5 FCBDLO CCn1ncnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589365 1247905588 /nfs/dbraw/zinc/90/55/88/1247905588.db2.gz VQMCGCWNEJCCPS-LXTVHRRPSA-N 1 2 362.434 0.634 20 5 FCBDLO CC(C)c1[nH+]ccn1CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001001801795 1252349471 /nfs/dbraw/zinc/34/94/71/1252349471.db2.gz CWEUUTUZYOAQBH-ZIAGYGMSSA-N 1 2 363.418 0.636 20 5 FCBDLO CCn1ncnc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816993 1254005759 /nfs/dbraw/zinc/00/57/59/1254005759.db2.gz XZSIXQFAOYNXMH-HUUCEWRRSA-N 1 2 358.402 0.869 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060729548 1254132735 /nfs/dbraw/zinc/13/27/35/1254132735.db2.gz CZWVQWOZUDPVID-AAVRWANBSA-N 1 2 363.418 0.799 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC001308749739 1263218554 /nfs/dbraw/zinc/21/85/54/1263218554.db2.gz VYXZGHGCHMCTCZ-UHFFFAOYSA-N 1 2 359.390 0.543 20 5 FCBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001334936481 1267236804 /nfs/dbraw/zinc/23/68/04/1267236804.db2.gz MAWPSTCXHBNIRE-UHFFFAOYSA-N 1 2 358.345 0.944 20 5 FCBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001334936481 1267236810 /nfs/dbraw/zinc/23/68/10/1267236810.db2.gz MAWPSTCXHBNIRE-UHFFFAOYSA-N 1 2 358.345 0.944 20 5 FCBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC001580875072 1279080362 /nfs/dbraw/zinc/08/03/62/1279080362.db2.gz WVPKKXLZZPFHNX-SSDOTTSWSA-N 1 2 353.759 0.654 20 5 FCBDLO CC1(C)OCC(CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CO1 ZINC001603794273 1287499601 /nfs/dbraw/zinc/49/96/01/1287499601.db2.gz GNXFTNIKIXJZJC-UHFFFAOYSA-N 1 2 364.362 0.379 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001591683323 1284827294 /nfs/dbraw/zinc/82/72/94/1284827294.db2.gz AJNGQHXJSNDDPH-VWLOTQADSA-N 1 2 365.419 0.275 20 5 FCBDLO Cn1cc[nH+]c1N1CCN(c2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 ZINC001592585731 1285509422 /nfs/dbraw/zinc/50/94/22/1285509422.db2.gz RESZUFQZCVEHJZ-UHFFFAOYSA-N 1 2 361.391 0.897 20 5 FCBDLO O=C1OCC[C@@H]1[NH+]1CCC(Nc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001593415385 1286138274 /nfs/dbraw/zinc/13/82/74/1286138274.db2.gz ZMDQPXIWFWQACQ-ZDUSSCGKSA-N 1 2 373.373 0.967 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC001593467434 1286172312 /nfs/dbraw/zinc/17/23/12/1286172312.db2.gz QNAPQDISJTVSEI-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nnccc3-c3nn[nH]n3)CC2)c1 ZINC001593483803 1286174940 /nfs/dbraw/zinc/17/49/40/1286174940.db2.gz KBJJLHXQVYHXGX-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO CN(CCCN1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001604866011 1287803619 /nfs/dbraw/zinc/80/36/19/1287803619.db2.gz AQAAXLREIUSEJJ-UHFFFAOYSA-N 1 2 360.422 0.849 20 5 FCBDLO CN(CCC[NH+]1CCN(C)CC1)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001604866011 1287803622 /nfs/dbraw/zinc/80/36/22/1287803622.db2.gz AQAAXLREIUSEJJ-UHFFFAOYSA-N 1 2 360.422 0.849 20 5 FCBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCN(c2nccnn2)CC1 ZINC001607083619 1288652502 /nfs/dbraw/zinc/65/25/02/1288652502.db2.gz KBFVDXTZHLPZCG-UHFFFAOYSA-N 1 2 368.361 0.282 20 5 FCBDLO Cc1csc(C[NH+]2CCC(CO)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001755177674 1290640397 /nfs/dbraw/zinc/64/03/97/1290640397.db2.gz YPFMNOATGXGIEK-VXGBXAGGSA-N 1 2 354.432 0.560 20 5 FCBDLO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCCn1cc[nH+]c1 ZINC001067392013 837457208 /nfs/dbraw/zinc/45/72/08/837457208.db2.gz XHJDQMTVTXKTJR-ZIAGYGMSSA-N 1 2 351.407 0.635 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000746476272 836186333 /nfs/dbraw/zinc/18/63/33/836186333.db2.gz SXRRROUIZQHYPV-XMMPIXPASA-N 1 2 354.432 0.190 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000748455302 836307770 /nfs/dbraw/zinc/30/77/70/836307770.db2.gz GMRUAZTYVFVSSQ-ZDUSSCGKSA-N 1 2 355.322 0.936 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000748455302 836307783 /nfs/dbraw/zinc/30/77/83/836307783.db2.gz GMRUAZTYVFVSSQ-ZDUSSCGKSA-N 1 2 355.322 0.936 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000748455270 836307993 /nfs/dbraw/zinc/30/79/93/836307993.db2.gz GIPCSLPXPINADA-ZDUSSCGKSA-N 1 2 355.322 0.936 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000748455270 836308001 /nfs/dbraw/zinc/30/80/01/836308001.db2.gz GIPCSLPXPINADA-ZDUSSCGKSA-N 1 2 355.322 0.936 20 5 FCBDLO O=C(NCc1nc(C[NH2+]Cc2ccns2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001087257075 842328577 /nfs/dbraw/zinc/32/85/77/842328577.db2.gz YNAIIZBVEUGBKL-GHMZBOCLSA-N 1 2 364.387 0.210 20 5 FCBDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC001309798826 866899284 /nfs/dbraw/zinc/89/92/84/866899284.db2.gz DCOFGMJTACLDNL-LLVKDONJSA-N 1 2 357.388 0.754 20 5 FCBDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC001309798826 866899299 /nfs/dbraw/zinc/89/92/99/866899299.db2.gz DCOFGMJTACLDNL-LLVKDONJSA-N 1 2 357.388 0.754 20 5 FCBDLO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292302620 214093190 /nfs/dbraw/zinc/09/31/90/214093190.db2.gz UWGJVZQZGROXLY-GFCCVEGCSA-N 1 2 356.404 0.159 20 5 FCBDLO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292302620 214093192 /nfs/dbraw/zinc/09/31/92/214093192.db2.gz UWGJVZQZGROXLY-GFCCVEGCSA-N 1 2 356.404 0.159 20 5 FCBDLO CN(C)S(=O)(=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291506725 214038042 /nfs/dbraw/zinc/03/80/42/214038042.db2.gz IHGCGPOQEFZQOJ-UHFFFAOYSA-N 1 2 367.387 0.402 20 5 FCBDLO CNS(=O)(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000291092885 214013376 /nfs/dbraw/zinc/01/33/76/214013376.db2.gz IAOKHVXQWKPOFQ-UHFFFAOYSA-N 1 2 369.403 0.754 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c2nonc21 ZINC000299299813 214692424 /nfs/dbraw/zinc/69/24/24/214692424.db2.gz AWTJYSOTHFNBGZ-JTQLQIEISA-N 1 2 367.387 0.440 20 5 FCBDLO CC(=O)NC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000265553895 210164885 /nfs/dbraw/zinc/16/48/85/210164885.db2.gz KIPSGBVRZWCSAU-AWEZNQCLSA-N 1 2 373.369 0.758 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000284141059 213083905 /nfs/dbraw/zinc/08/39/05/213083905.db2.gz PUCKBYMRMHTNEO-HUUCEWRRSA-N 1 2 363.370 0.927 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000284141059 213083908 /nfs/dbraw/zinc/08/39/08/213083908.db2.gz PUCKBYMRMHTNEO-HUUCEWRRSA-N 1 2 363.370 0.927 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000412434912 237209579 /nfs/dbraw/zinc/20/95/79/237209579.db2.gz JZKXPMJVMDGPLL-UHFFFAOYSA-N 1 2 352.391 0.596 20 5 FCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000367733359 216154875 /nfs/dbraw/zinc/15/48/75/216154875.db2.gz HOCJPUKYPCACKW-YPMHNXCESA-N 1 2 370.431 0.542 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000368335373 216234322 /nfs/dbraw/zinc/23/43/22/216234322.db2.gz YVLAQNSSHFSLJK-GJZGRUSLSA-N 1 2 351.403 0.741 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000277237553 212342524 /nfs/dbraw/zinc/34/25/24/212342524.db2.gz YFFIMUZETXHFKE-ZDUSSCGKSA-N 1 2 353.375 0.369 20 5 FCBDLO CCOc1cc(CN2CC[NH+](CCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000276984345 212314832 /nfs/dbraw/zinc/31/48/32/212314832.db2.gz YWSQZWBQZAMRER-UHFFFAOYSA-N 1 2 372.447 0.400 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276668158 212274345 /nfs/dbraw/zinc/27/43/45/212274345.db2.gz UOPFRUXAZFXBOK-GXTWGEPZSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276668158 212274348 /nfs/dbraw/zinc/27/43/48/212274348.db2.gz UOPFRUXAZFXBOK-GXTWGEPZSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)c1cnc(NCC[NH+]2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000276493349 212243413 /nfs/dbraw/zinc/24/34/13/212243413.db2.gz BARNFSLEZDKPIW-UHFFFAOYSA-N 1 2 351.363 0.352 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184800651 209167019 /nfs/dbraw/zinc/16/70/19/209167019.db2.gz VGXGFTDRRWGILV-AWEZNQCLSA-N 1 2 357.432 0.813 20 5 FCBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1C ZINC000182443812 209132094 /nfs/dbraw/zinc/13/20/94/209132094.db2.gz LBWZODYBZZXPNN-UHFFFAOYSA-N 1 2 357.432 0.900 20 5 FCBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424514051 247246392 /nfs/dbraw/zinc/24/63/92/247246392.db2.gz ZAHQGYORNTZNLL-GFCCVEGCSA-N 1 2 370.356 0.615 20 5 FCBDLO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424563629 247264464 /nfs/dbraw/zinc/26/44/64/247264464.db2.gz ZUPIUAOTMFRVOE-LBPRGKRZSA-N 1 2 370.356 0.615 20 5 FCBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](CO)C[NH+]2CCOCC2)c1F ZINC000425299086 247318959 /nfs/dbraw/zinc/31/89/59/247318959.db2.gz YDNLBWZDODJNGG-NSHDSACASA-N 1 2 371.365 0.094 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436978338 248056797 /nfs/dbraw/zinc/05/67/97/248056797.db2.gz HYYUSRYTJFIUNX-LLVKDONJSA-N 1 2 350.375 0.618 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436978338 248056801 /nfs/dbraw/zinc/05/68/01/248056801.db2.gz HYYUSRYTJFIUNX-LLVKDONJSA-N 1 2 350.375 0.618 20 5 FCBDLO O=C(NCCCC[NH+]1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436996181 248057388 /nfs/dbraw/zinc/05/73/88/248057388.db2.gz CVCGTSCKXSAUOU-UHFFFAOYSA-N 1 2 366.418 0.420 20 5 FCBDLO C[C@](O)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000443750174 248337951 /nfs/dbraw/zinc/33/79/51/248337951.db2.gz ZWXYPFOFEJAIDF-HNNXBMFYSA-N 1 2 373.431 0.097 20 5 FCBDLO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000271308862 211376253 /nfs/dbraw/zinc/37/62/53/211376253.db2.gz UWMBCRDXUWMFBQ-UHFFFAOYSA-N 1 2 364.402 0.830 20 5 FCBDLO COc1ccc(OCC[NH+]2CCN(C(=O)[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000270941684 211302607 /nfs/dbraw/zinc/30/26/07/211302607.db2.gz YQSLPVLAAQKQNJ-LBPRGKRZSA-N 1 2 353.375 0.507 20 5 FCBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270699299 211249177 /nfs/dbraw/zinc/24/91/77/211249177.db2.gz FEHVXJMWHSQGDH-GFCCVEGCSA-N 1 2 359.390 0.653 20 5 FCBDLO O=C(CO)N1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000472341793 250146612 /nfs/dbraw/zinc/14/66/12/250146612.db2.gz HMOQPWLQPMDAOF-UHFFFAOYSA-N 1 2 364.402 0.068 20 5 FCBDLO Cc1ccc(S(=O)(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000269851864 211099805 /nfs/dbraw/zinc/09/98/05/211099805.db2.gz RAHBBIVPSKSSIT-ZDUSSCGKSA-N 1 2 373.431 0.217 20 5 FCBDLO CCc1nc(CN2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)no1 ZINC000090554699 208130378 /nfs/dbraw/zinc/13/03/78/208130378.db2.gz AACBVJYSVLZBRV-UHFFFAOYSA-N 1 2 362.390 0.520 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000103167897 208175190 /nfs/dbraw/zinc/17/51/90/208175190.db2.gz ZTTSLQPWGYCPNW-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)C2)CC1 ZINC000106798413 208231347 /nfs/dbraw/zinc/23/13/47/208231347.db2.gz JPDVFPPQAFYTOM-HNNXBMFYSA-N 1 2 364.450 0.728 20 5 FCBDLO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000106895351 208236046 /nfs/dbraw/zinc/23/60/46/208236046.db2.gz HCUBYPQHSBUIRM-LLVKDONJSA-N 1 2 360.411 0.648 20 5 FCBDLO COc1ccc(OCC[N@@H+]2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000266560131 210357067 /nfs/dbraw/zinc/35/70/67/210357067.db2.gz XCINWRTXUPVDOI-UHFFFAOYSA-N 1 2 373.431 0.950 20 5 FCBDLO COc1ccc(OCC[N@H+]2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000266560131 210357069 /nfs/dbraw/zinc/35/70/69/210357069.db2.gz XCINWRTXUPVDOI-UHFFFAOYSA-N 1 2 373.431 0.950 20 5 FCBDLO CC[C@@H](CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000266175035 210297584 /nfs/dbraw/zinc/29/75/84/210297584.db2.gz ACARDYGQTMCGOW-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO COCC(COC)[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000413477142 533100645 /nfs/dbraw/zinc/10/06/45/533100645.db2.gz MWDRFTDUDSAAFN-UHFFFAOYSA-N 1 2 368.390 0.560 20 5 FCBDLO O=C1NC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000180489607 209096309 /nfs/dbraw/zinc/09/63/09/209096309.db2.gz GXFLPARMSQKMES-CQSZACIVSA-N 1 2 370.365 0.997 20 5 FCBDLO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN2C1=O ZINC000180489607 209096314 /nfs/dbraw/zinc/09/63/14/209096314.db2.gz GXFLPARMSQKMES-CQSZACIVSA-N 1 2 370.365 0.997 20 5 FCBDLO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc([N+](=O)[O-])c1 ZINC000180441711 209095940 /nfs/dbraw/zinc/09/59/40/209095940.db2.gz ILPKBYRUOQIXAS-SECBINFHSA-N 1 2 358.358 0.719 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000180300181 209094073 /nfs/dbraw/zinc/09/40/73/209094073.db2.gz UJSHXFBBEAYDTP-ZDUSSCGKSA-N 1 2 357.432 0.980 20 5 FCBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1F ZINC000412426686 533216028 /nfs/dbraw/zinc/21/60/28/533216028.db2.gz HPTCOVYJPCMXMQ-OCCSQVGLSA-N 1 2 353.350 0.826 20 5 FCBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1F ZINC000412426686 533216034 /nfs/dbraw/zinc/21/60/34/533216034.db2.gz HPTCOVYJPCMXMQ-OCCSQVGLSA-N 1 2 353.350 0.826 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000178812774 209061376 /nfs/dbraw/zinc/06/13/76/209061376.db2.gz MYFRGRMQRLZNPC-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000178812774 209061378 /nfs/dbraw/zinc/06/13/78/209061378.db2.gz MYFRGRMQRLZNPC-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cn1c(=O)cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)n(C)c1=O ZINC000073413610 132303124 /nfs/dbraw/zinc/30/31/24/132303124.db2.gz OESZWGPEQLQIRU-UHFFFAOYSA-N 1 2 359.386 0.314 20 5 FCBDLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278294668 488865609 /nfs/dbraw/zinc/86/56/09/488865609.db2.gz VIKNXFDFRXPJFP-SNVBAGLBSA-N 1 2 373.391 0.508 20 5 FCBDLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000278294668 488865611 /nfs/dbraw/zinc/86/56/11/488865611.db2.gz VIKNXFDFRXPJFP-SNVBAGLBSA-N 1 2 373.391 0.508 20 5 FCBDLO CC[C@H](CO)[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301852488 488884825 /nfs/dbraw/zinc/88/48/25/488884825.db2.gz AXXLWLDVMNOFEA-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000279252515 488927351 /nfs/dbraw/zinc/92/73/51/488927351.db2.gz HIHXEXWDNRLFMA-CYBMUJFWSA-N 1 2 374.401 0.968 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279393654 488938482 /nfs/dbraw/zinc/93/84/82/488938482.db2.gz JAJWUROXPILASE-SNVBAGLBSA-N 1 2 356.354 0.081 20 5 FCBDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000026489064 487683374 /nfs/dbraw/zinc/68/33/74/487683374.db2.gz LVWKQAJPKZOBPP-KBPBESRZSA-N 1 2 363.418 0.748 20 5 FCBDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030589672 487746322 /nfs/dbraw/zinc/74/63/22/487746322.db2.gz GFQKZZVIXRNAJH-CYBMUJFWSA-N 1 2 370.431 0.597 20 5 FCBDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030589672 487746325 /nfs/dbraw/zinc/74/63/25/487746325.db2.gz GFQKZZVIXRNAJH-CYBMUJFWSA-N 1 2 370.431 0.597 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(Nc3cn[nH]c3)c([N+](=O)[O-])c2)CC1 ZINC000030587665 487746589 /nfs/dbraw/zinc/74/65/89/487746589.db2.gz FUVBXQGEZZHGKQ-UHFFFAOYSA-N 1 2 366.403 0.998 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000041739306 487839622 /nfs/dbraw/zinc/83/96/22/487839622.db2.gz FKDWZKOHSRTILY-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000042951014 487883567 /nfs/dbraw/zinc/88/35/67/487883567.db2.gz LUFFEBYYHFOMLE-UHFFFAOYSA-N 1 2 363.418 0.759 20 5 FCBDLO C[C@@H]1CN(c2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)c[nH+]2)CCO1 ZINC000053360154 488199066 /nfs/dbraw/zinc/19/90/66/488199066.db2.gz VDBRDNHRFVTHFV-GFCCVEGCSA-N 1 2 360.374 0.728 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000065725290 488320832 /nfs/dbraw/zinc/32/08/32/488320832.db2.gz IEZTZCOWPDXXNK-UHFFFAOYSA-N 1 2 360.374 0.648 20 5 FCBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000268221676 488398120 /nfs/dbraw/zinc/39/81/20/488398120.db2.gz CSECFXKLVPWTQU-UHFFFAOYSA-N 1 2 373.431 0.946 20 5 FCBDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000088757851 488456756 /nfs/dbraw/zinc/45/67/56/488456756.db2.gz MVBFURIMPOGUTE-ZDUSSCGKSA-N 1 2 350.423 0.770 20 5 FCBDLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000269031047 488463989 /nfs/dbraw/zinc/46/39/89/488463989.db2.gz MGRSJEOPPUXKCS-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000269031047 488463992 /nfs/dbraw/zinc/46/39/92/488463992.db2.gz MGRSJEOPPUXKCS-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000248663627 488500405 /nfs/dbraw/zinc/50/04/05/488500405.db2.gz ZWSNNUCZCKSGFC-MNOVXSKESA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000248663627 488500407 /nfs/dbraw/zinc/50/04/07/488500407.db2.gz ZWSNNUCZCKSGFC-MNOVXSKESA-N 1 2 361.395 0.810 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249228705 488507692 /nfs/dbraw/zinc/50/76/92/488507692.db2.gz VFRSUAOPQZZDAZ-VXGBXAGGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249228705 488507695 /nfs/dbraw/zinc/50/76/95/488507695.db2.gz VFRSUAOPQZZDAZ-VXGBXAGGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262093880 488550044 /nfs/dbraw/zinc/55/00/44/488550044.db2.gz UZSMCEQFHDNBJR-ZDUSSCGKSA-N 1 2 351.388 0.664 20 5 FCBDLO CC(C)(CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000272455576 488581718 /nfs/dbraw/zinc/58/17/18/488581718.db2.gz GNSNBXOZPJBPTG-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)C[N@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 ZINC000272887352 488614301 /nfs/dbraw/zinc/61/43/01/488614301.db2.gz IQHSWBYKGLXTEX-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)C[N@@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 ZINC000272887352 488614303 /nfs/dbraw/zinc/61/43/03/488614303.db2.gz IQHSWBYKGLXTEX-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000127148540 488614578 /nfs/dbraw/zinc/61/45/78/488614578.db2.gz YKXSKRVHGZMAHN-CQSZACIVSA-N 1 2 360.374 0.376 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000263875167 488633073 /nfs/dbraw/zinc/63/30/73/488633073.db2.gz NQGGKPRZBDWKPH-ZDUSSCGKSA-N 1 2 364.402 0.504 20 5 FCBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273217140 488638454 /nfs/dbraw/zinc/63/84/54/488638454.db2.gz MHYBOMDOHZPXBT-CQSZACIVSA-N 1 2 364.402 0.973 20 5 FCBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273217140 488638455 /nfs/dbraw/zinc/63/84/55/488638455.db2.gz MHYBOMDOHZPXBT-CQSZACIVSA-N 1 2 364.402 0.973 20 5 FCBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCO)CC2)cc1OC ZINC000273489760 488654377 /nfs/dbraw/zinc/65/43/77/488654377.db2.gz VTCNFFVOEAWRNI-UHFFFAOYSA-N 1 2 353.375 0.752 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273996317 488678318 /nfs/dbraw/zinc/67/83/18/488678318.db2.gz SGZJJDYXYYICIP-UHFFFAOYSA-N 1 2 370.431 0.426 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264621049 488691421 /nfs/dbraw/zinc/69/14/21/488691421.db2.gz KYPZKUYSJCCJAD-UHFFFAOYSA-N 1 2 356.404 0.547 20 5 FCBDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264709548 488701207 /nfs/dbraw/zinc/70/12/07/488701207.db2.gz LXLPDMQGLLRRBU-UHFFFAOYSA-N 1 2 364.402 0.738 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000264735110 488704692 /nfs/dbraw/zinc/70/46/92/488704692.db2.gz QHWMLZNTAREBHK-UHFFFAOYSA-N 1 2 370.431 0.855 20 5 FCBDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264771612 488709705 /nfs/dbraw/zinc/70/97/05/488709705.db2.gz QCCCJRXLUAEUPC-OAHLLOKOSA-N 1 2 363.418 0.077 20 5 FCBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264771612 488709707 /nfs/dbraw/zinc/70/97/07/488709707.db2.gz QCCCJRXLUAEUPC-OAHLLOKOSA-N 1 2 363.418 0.077 20 5 FCBDLO O=C(NCCn1cc[nH+]c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000152712423 488722119 /nfs/dbraw/zinc/72/21/19/488722119.db2.gz JWOVWEFMHAQLDI-UHFFFAOYSA-N 1 2 372.385 0.959 20 5 FCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(F)c1 ZINC000267028645 488754597 /nfs/dbraw/zinc/75/45/97/488754597.db2.gz UREBPQQGYNQONF-GJZGRUSLSA-N 1 2 373.406 0.321 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275245710 488776763 /nfs/dbraw/zinc/77/67/63/488776763.db2.gz GWUDKUYHYZXBMF-LBPRGKRZSA-N 1 2 350.375 0.367 20 5 FCBDLO Cn1cc([C@@H](CO)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cn1 ZINC000275260474 488778086 /nfs/dbraw/zinc/77/80/86/488778086.db2.gz ZYXFUXWPSMLCKW-LLVKDONJSA-N 1 2 363.330 0.319 20 5 FCBDLO CCCc1n[nH]c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000159685567 488786984 /nfs/dbraw/zinc/78/69/84/488786984.db2.gz QLBRRMYHLXNSMH-UHFFFAOYSA-N 1 2 352.439 0.980 20 5 FCBDLO CCCc1[nH]nc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000159685567 488786985 /nfs/dbraw/zinc/78/69/85/488786985.db2.gz QLBRRMYHLXNSMH-UHFFFAOYSA-N 1 2 352.439 0.980 20 5 FCBDLO CCc1nsc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000159858903 488787999 /nfs/dbraw/zinc/78/79/99/488787999.db2.gz BYBICCWTODIIGJ-UHFFFAOYSA-N 1 2 364.431 0.993 20 5 FCBDLO O=C(Cc1noc(-c2ccc([N+](=O)[O-])s2)n1)NCC[NH+]1CCOCC1 ZINC000277858405 488790679 /nfs/dbraw/zinc/79/06/79/488790679.db2.gz MENXXHJIPYSIMR-UHFFFAOYSA-N 1 2 367.387 0.697 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000267524724 488793675 /nfs/dbraw/zinc/79/36/75/488793675.db2.gz HLYVSICTIGCJMF-CYBMUJFWSA-N 1 2 364.402 0.609 20 5 FCBDLO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000163097046 488806946 /nfs/dbraw/zinc/80/69/46/488806946.db2.gz QHTJKUDCSXKWJH-LBPRGKRZSA-N 1 2 351.407 0.699 20 5 FCBDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000267760109 488818060 /nfs/dbraw/zinc/81/80/60/488818060.db2.gz FLWBMQWEGDZRAO-ZBFHGGJFSA-N 1 2 360.370 0.925 20 5 FCBDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000267760109 488818062 /nfs/dbraw/zinc/81/80/62/488818062.db2.gz FLWBMQWEGDZRAO-ZBFHGGJFSA-N 1 2 360.370 0.925 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178211465 488860120 /nfs/dbraw/zinc/86/01/20/488860120.db2.gz KHYIZQSRBPXSBB-CQSZACIVSA-N 1 2 365.434 0.961 20 5 FCBDLO Cc1cc(OCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000280839997 489034672 /nfs/dbraw/zinc/03/46/72/489034672.db2.gz QFBFGCBWGRXAJR-AWEZNQCLSA-N 1 2 367.402 0.434 20 5 FCBDLO C[C@@H](CO)N1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966768 489223461 /nfs/dbraw/zinc/22/34/61/489223461.db2.gz RCNFDQUYGOGEKS-LSDHHAIUSA-N 1 2 353.419 0.723 20 5 FCBDLO C[C@@H](CO)N1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966768 489223464 /nfs/dbraw/zinc/22/34/64/489223464.db2.gz RCNFDQUYGOGEKS-LSDHHAIUSA-N 1 2 353.419 0.723 20 5 FCBDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298064341 489284562 /nfs/dbraw/zinc/28/45/62/489284562.db2.gz ADKRJOZPYKZOLM-CYBMUJFWSA-N 1 2 364.358 0.287 20 5 FCBDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298064341 489284564 /nfs/dbraw/zinc/28/45/64/489284564.db2.gz ADKRJOZPYKZOLM-CYBMUJFWSA-N 1 2 364.358 0.287 20 5 FCBDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000286112456 489357591 /nfs/dbraw/zinc/35/75/91/489357591.db2.gz WHDSZVFYNYNORC-HIFRSBDPSA-N 1 2 359.386 0.582 20 5 FCBDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000286112456 489357594 /nfs/dbraw/zinc/35/75/94/489357594.db2.gz WHDSZVFYNYNORC-HIFRSBDPSA-N 1 2 359.386 0.582 20 5 FCBDLO COCCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000298740242 489358736 /nfs/dbraw/zinc/35/87/36/489358736.db2.gz RIKCKNYTIZSJET-UHFFFAOYSA-N 1 2 373.431 0.946 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000298772665 489363550 /nfs/dbraw/zinc/36/35/50/489363550.db2.gz PIHLOUXWQCXVAM-UHFFFAOYSA-N 1 2 365.346 0.397 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000299185287 489414671 /nfs/dbraw/zinc/41/46/71/489414671.db2.gz AHGYSMINIQLWEF-LBPRGKRZSA-N 1 2 368.415 0.835 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000299185287 489414673 /nfs/dbraw/zinc/41/46/73/489414673.db2.gz AHGYSMINIQLWEF-LBPRGKRZSA-N 1 2 368.415 0.835 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000299443989 489442348 /nfs/dbraw/zinc/44/23/48/489442348.db2.gz XKWDEXMZCIEVBH-BXUZGUMPSA-N 1 2 350.375 0.160 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000299443989 489442351 /nfs/dbraw/zinc/44/23/51/489442351.db2.gz XKWDEXMZCIEVBH-BXUZGUMPSA-N 1 2 350.375 0.160 20 5 FCBDLO 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370.431 0.427 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1C ZINC000579372023 491696581 /nfs/dbraw/zinc/69/65/81/491696581.db2.gz FTUJCYLVXCNOLX-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1C ZINC000579372023 491696582 /nfs/dbraw/zinc/69/65/82/491696582.db2.gz FTUJCYLVXCNOLX-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587972558 491736378 /nfs/dbraw/zinc/73/63/78/491736378.db2.gz UNJITTYUTRKZTD-GFCCVEGCSA-N 1 2 362.434 0.833 20 5 FCBDLO C[NH2+][C@@H](C)Cc1noc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000581131082 491760513 /nfs/dbraw/zinc/76/05/13/491760513.db2.gz GZRJOTKGXOZMBJ-VIFPVBQESA-N 1 2 355.376 0.607 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589498171 491763070 /nfs/dbraw/zinc/76/30/70/491763070.db2.gz OUOGQAADOIBKKM-UHFFFAOYSA-N 1 2 371.415 0.895 20 5 FCBDLO CNc1nccc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000581676497 491782460 /nfs/dbraw/zinc/78/24/60/491782460.db2.gz ZEWKQPISYFOOPL-NSHDSACASA-N 1 2 365.390 0.741 20 5 FCBDLO CNc1nccc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000581676497 491782462 /nfs/dbraw/zinc/78/24/62/491782462.db2.gz ZEWKQPISYFOOPL-NSHDSACASA-N 1 2 365.390 0.741 20 5 FCBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000595370893 491924871 /nfs/dbraw/zinc/92/48/71/491924871.db2.gz KYWOTDXNMOLYQR-ZFWWWQNUSA-N 1 2 373.406 0.321 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596434935 491985748 /nfs/dbraw/zinc/98/57/48/491985748.db2.gz ZKBGJKWPLHLLQL-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000596434935 491985750 /nfs/dbraw/zinc/98/57/50/491985750.db2.gz ZKBGJKWPLHLLQL-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000603928657 492047634 /nfs/dbraw/zinc/04/76/34/492047634.db2.gz HXGMHFDBYFHOGP-UHFFFAOYSA-N 1 2 363.399 0.964 20 5 FCBDLO NC(=O)N1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000597641692 492055640 /nfs/dbraw/zinc/05/56/40/492055640.db2.gz HUPCKFAIBRFOOX-NSHDSACASA-N 1 2 358.358 0.911 20 5 FCBDLO CC1(C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614854187 492060380 /nfs/dbraw/zinc/06/03/80/492060380.db2.gz YLAOWCBJPPQTEQ-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO CC1(C)CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614854187 492060381 /nfs/dbraw/zinc/06/03/81/492060381.db2.gz YLAOWCBJPPQTEQ-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000597709033 492060796 /nfs/dbraw/zinc/06/07/96/492060796.db2.gz GDKSHTPTBIMJRK-ZDUSSCGKSA-N 1 2 351.407 0.850 20 5 FCBDLO CN(C)C(=O)CN1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000604496051 492062117 /nfs/dbraw/zinc/06/21/17/492062117.db2.gz IXTPAACUMYVXDM-HNNXBMFYSA-N 1 2 366.418 0.040 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000604496051 492062119 /nfs/dbraw/zinc/06/21/19/492062119.db2.gz IXTPAACUMYVXDM-HNNXBMFYSA-N 1 2 366.418 0.040 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 ZINC000598596794 492107115 /nfs/dbraw/zinc/10/71/15/492107115.db2.gz UBKTWPBQLMDHCR-LBPRGKRZSA-N 1 2 352.395 0.354 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 ZINC000598596794 492107117 /nfs/dbraw/zinc/10/71/17/492107117.db2.gz UBKTWPBQLMDHCR-LBPRGKRZSA-N 1 2 352.395 0.354 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598634754 492110567 /nfs/dbraw/zinc/11/05/67/492110567.db2.gz RVOVEJCSDKLAHO-STQMWFEESA-N 1 2 366.422 0.743 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598634754 492110570 /nfs/dbraw/zinc/11/05/70/492110570.db2.gz RVOVEJCSDKLAHO-STQMWFEESA-N 1 2 366.422 0.743 20 5 FCBDLO 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ZINC000610782902 492262397 /nfs/dbraw/zinc/26/23/97/492262397.db2.gz WMRWXSLRMFCYHQ-KGLIPLIRSA-N 1 2 372.447 0.768 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000610782902 492262399 /nfs/dbraw/zinc/26/23/99/492262399.db2.gz WMRWXSLRMFCYHQ-KGLIPLIRSA-N 1 2 372.447 0.768 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600423821 492268970 /nfs/dbraw/zinc/26/89/70/492268970.db2.gz HLSFTNXCEBPMTC-FZMZJTMJSA-N 1 2 350.375 0.160 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600423821 492268973 /nfs/dbraw/zinc/26/89/73/492268973.db2.gz HLSFTNXCEBPMTC-FZMZJTMJSA-N 1 2 350.375 0.160 20 5 FCBDLO CN1C(=O)CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000425076953 536309377 /nfs/dbraw/zinc/30/93/77/536309377.db2.gz SRQHOSFJQJILCL-NSHDSACASA-N 1 2 357.326 0.658 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592199889 546945958 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COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000552167232 1193912152 /nfs/dbraw/zinc/91/21/52/1193912152.db2.gz SIYMIAVPFWDIKD-ZDUSSCGKSA-N 1 2 365.386 0.975 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000805476899 1201546369 /nfs/dbraw/zinc/54/63/69/1201546369.db2.gz CHTQNVCRDFQXKA-HUUCEWRRSA-N 1 2 363.370 0.964 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000805476899 1201546371 /nfs/dbraw/zinc/54/63/71/1201546371.db2.gz CHTQNVCRDFQXKA-HUUCEWRRSA-N 1 2 363.370 0.964 20 5 FCBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001220176702 1224795048 /nfs/dbraw/zinc/79/50/48/1224795048.db2.gz LSSLOOJMIPCBJD-LLVKDONJSA-N 1 2 364.406 0.451 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000846616938 1204646230 /nfs/dbraw/zinc/64/62/30/1204646230.db2.gz IVRAHIZLGFQTOB-UHFFFAOYSA-N 1 2 366.418 0.906 20 5 FCBDLO 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CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934322148 1211861376 /nfs/dbraw/zinc/86/13/76/1211861376.db2.gz JDHDOAKBEHPKSN-YESZJQIVSA-N 1 2 363.414 0.850 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000954241357 1213051232 /nfs/dbraw/zinc/05/12/32/1213051232.db2.gz IPOYRJZCFCEQOH-HZPDHXFCSA-N 1 2 369.381 0.820 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010651852 1213806136 /nfs/dbraw/zinc/80/61/36/1213806136.db2.gz DDNUYEHHXYRRIF-CHWSQXEVSA-N 1 2 361.402 0.459 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000967947477 1215265608 /nfs/dbraw/zinc/26/56/08/1215265608.db2.gz YCEFFAMYCXQHGP-IUODEOHRSA-N 1 2 357.370 0.901 20 5 FCBDLO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC001000670684 1216100397 /nfs/dbraw/zinc/10/03/97/1216100397.db2.gz RIPGNVVFOYPNQE-HZPDHXFCSA-N 1 2 364.446 0.849 20 5 FCBDLO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC001000670684 1216100400 /nfs/dbraw/zinc/10/04/00/1216100400.db2.gz RIPGNVVFOYPNQE-HZPDHXFCSA-N 1 2 364.446 0.849 20 5 FCBDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000826898986 1218910055 /nfs/dbraw/zinc/91/00/55/1218910055.db2.gz YUGVZMDAPDODLG-UHFFFAOYSA-N 1 2 357.374 0.321 20 5 FCBDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC(C1CC1)C1CC1 ZINC001227257947 1225868342 /nfs/dbraw/zinc/86/83/42/1225868342.db2.gz HUFPTCJBTLKEPB-HUUCEWRRSA-N 1 2 364.446 0.537 20 5 FCBDLO CC(=O)N1CC[C@@H](C[N@@H+](C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000754778172 1220121572 /nfs/dbraw/zinc/12/15/72/1220121572.db2.gz MRPHOKFJWCMDBA-LBPRGKRZSA-N 1 2 360.370 0.949 20 5 FCBDLO CC(=O)N1CC[C@@H](C[N@H+](C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000754778172 1220121574 /nfs/dbraw/zinc/12/15/74/1220121574.db2.gz MRPHOKFJWCMDBA-LBPRGKRZSA-N 1 2 360.370 0.949 20 5 FCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000797089767 1221268498 /nfs/dbraw/zinc/26/84/98/1221268498.db2.gz GRIXICVSQHXZSP-SNVBAGLBSA-N 1 2 368.394 0.599 20 5 FCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000797089767 1221268501 /nfs/dbraw/zinc/26/85/01/1221268501.db2.gz GRIXICVSQHXZSP-SNVBAGLBSA-N 1 2 368.394 0.599 20 5 FCBDLO CN(C)c1noc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCCC2)n1 ZINC001115530681 1221311483 /nfs/dbraw/zinc/31/14/83/1221311483.db2.gz LGFRHFONNQTETK-VXGBXAGGSA-N 1 2 366.422 0.710 20 5 FCBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001117555890 1221569631 /nfs/dbraw/zinc/56/96/31/1221569631.db2.gz CQULTYBYNAKISU-CQSZACIVSA-N 1 2 369.381 0.807 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001118261574 1221745280 /nfs/dbraw/zinc/74/52/80/1221745280.db2.gz YHAHYDITAMDKMY-AWEZNQCLSA-N 1 2 374.353 0.826 20 5 FCBDLO 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COc1ccc(C(=O)CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001151260509 1222920918 /nfs/dbraw/zinc/92/09/18/1222920918.db2.gz NWPZWPDQGGAONQ-BXUZGUMPSA-N 1 2 362.386 0.291 20 5 FCBDLO COc1ccc(C(=O)CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001151260509 1222920921 /nfs/dbraw/zinc/92/09/21/1222920921.db2.gz NWPZWPDQGGAONQ-BXUZGUMPSA-N 1 2 362.386 0.291 20 5 FCBDLO Cn1cc([C@@H](CO)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001153046220 1222967402 /nfs/dbraw/zinc/96/74/02/1222967402.db2.gz ZPBHPCNXXRWREU-CYBMUJFWSA-N 1 2 356.342 0.977 20 5 FCBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001154930967 1223021371 /nfs/dbraw/zinc/02/13/71/1223021371.db2.gz HVHPXENALRYQRD-INIZCTEOSA-N 1 2 364.402 0.251 20 5 FCBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001154930967 1223021376 /nfs/dbraw/zinc/02/13/76/1223021376.db2.gz HVHPXENALRYQRD-INIZCTEOSA-N 1 2 364.402 0.251 20 5 FCBDLO 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CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC001331225226 873019073 /nfs/dbraw/zinc/01/90/73/873019073.db2.gz PPGZEUPTFUACQO-JTQLQIEISA-N 1 2 364.383 0.940 20 5 FCBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccn3)CC2)c(-c2nn[nH]n2)c1 ZINC000826500702 948414786 /nfs/dbraw/zinc/41/47/86/948414786.db2.gz ITNMCQRZDQUZFU-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293016023 214138528 /nfs/dbraw/zinc/13/85/28/214138528.db2.gz FAHHZFVGJSIDHI-UHFFFAOYSA-N 1 2 363.374 0.198 20 5 FCBDLO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000295458136 214299167 /nfs/dbraw/zinc/29/91/67/214299167.db2.gz WYKHWOGPUVLXFQ-PHIMTYICSA-N 1 2 358.420 0.370 20 5 FCBDLO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C(N)=O ZINC000295678791 214312824 /nfs/dbraw/zinc/31/28/24/214312824.db2.gz KDGOKCJIESWYPN-UHFFFAOYSA-N 1 2 363.418 0.439 20 5 FCBDLO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C(N)=O 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/nfs/dbraw/zinc/07/04/30/215070430.db2.gz NOMKGOAELRRZCT-TUKIKUTGSA-N 1 2 362.386 0.255 20 5 FCBDLO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284674157 213194847 /nfs/dbraw/zinc/19/48/47/213194847.db2.gz NOHPIZHTYXXZTL-HZPDHXFCSA-N 1 2 369.443 0.872 20 5 FCBDLO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284674157 213194849 /nfs/dbraw/zinc/19/48/49/213194849.db2.gz NOHPIZHTYXXZTL-HZPDHXFCSA-N 1 2 369.443 0.872 20 5 FCBDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000411592382 237013554 /nfs/dbraw/zinc/01/35/54/237013554.db2.gz XKQJECNVCHOHED-OKILXGFUSA-N 1 2 362.386 0.821 20 5 FCBDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000411592382 237013562 /nfs/dbraw/zinc/01/35/62/237013562.db2.gz XKQJECNVCHOHED-OKILXGFUSA-N 1 2 362.386 0.821 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246326719 209384138 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XLPCCHFEYWWQEH-UHFFFAOYSA-N 1 2 365.390 0.425 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000275823990 212098411 /nfs/dbraw/zinc/09/84/11/212098411.db2.gz QMIPXSRGXPBAFR-UHFFFAOYSA-N 1 2 370.793 0.977 20 5 FCBDLO COc1ccc(NC(=O)CC[NH+]2CCN(C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275445842 212029475 /nfs/dbraw/zinc/02/94/75/212029475.db2.gz JZKRWFCIYQQRJA-CYBMUJFWSA-N 1 2 366.418 0.930 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275461144 212030532 /nfs/dbraw/zinc/03/05/32/212030532.db2.gz BTQLIEMGFVYUQA-SNPRPXQTSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275461144 212030536 /nfs/dbraw/zinc/03/05/36/212030536.db2.gz BTQLIEMGFVYUQA-SNPRPXQTSA-N 1 2 354.359 0.333 20 5 FCBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000373384039 217012861 /nfs/dbraw/zinc/01/28/61/217012861.db2.gz PIPOQBCAPVJABT-HOTGVXAUSA-N 1 2 369.443 0.956 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000184583641 209165816 /nfs/dbraw/zinc/16/58/16/209165816.db2.gz ORBWCEUPNWDEOM-CHWSQXEVSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000184583641 209165819 /nfs/dbraw/zinc/16/58/19/209165819.db2.gz ORBWCEUPNWDEOM-CHWSQXEVSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275310517 212006287 /nfs/dbraw/zinc/00/62/87/212006287.db2.gz BXCYZMBMOJERAN-NEPJUHHUSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275310517 212006289 /nfs/dbraw/zinc/00/62/89/212006289.db2.gz BXCYZMBMOJERAN-NEPJUHHUSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000376201215 217368727 /nfs/dbraw/zinc/36/87/27/217368727.db2.gz VOFBKUWKTMVUSM-NEPJUHHUSA-N 1 2 370.431 0.542 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000376726210 217442667 /nfs/dbraw/zinc/44/26/67/217442667.db2.gz PPQDWYHHBPNQNE-SNVBAGLBSA-N 1 2 356.404 0.675 20 5 FCBDLO C[C@H](Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000272872800 211625555 /nfs/dbraw/zinc/62/55/55/211625555.db2.gz DODFRGCIIZYBGA-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)N(C)C ZINC000440503013 248192367 /nfs/dbraw/zinc/19/23/67/248192367.db2.gz SZHTUROPHLYVSF-NWDGAFQWSA-N 1 2 364.406 0.069 20 5 FCBDLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)N(C)C ZINC000440503013 248192370 /nfs/dbraw/zinc/19/23/70/248192370.db2.gz SZHTUROPHLYVSF-NWDGAFQWSA-N 1 2 364.406 0.069 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444400471 248357695 /nfs/dbraw/zinc/35/76/95/248357695.db2.gz YZOUUFMNNVVROG-UHFFFAOYSA-N 1 2 366.418 0.468 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444400471 248357697 /nfs/dbraw/zinc/35/76/97/248357697.db2.gz YZOUUFMNNVVROG-UHFFFAOYSA-N 1 2 366.418 0.468 20 5 FCBDLO CCOC(=O)c1ccnc(NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000269961286 211126449 /nfs/dbraw/zinc/12/64/49/211126449.db2.gz LUUKDMIMGMYVTD-UHFFFAOYSA-N 1 2 351.363 0.400 20 5 FCBDLO CCOC(=O)c1ccnc(NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000269961286 211126454 /nfs/dbraw/zinc/12/64/54/211126454.db2.gz LUUKDMIMGMYVTD-UHFFFAOYSA-N 1 2 351.363 0.400 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472684386 250172722 /nfs/dbraw/zinc/17/27/22/250172722.db2.gz ITZMFZWVGDTIJG-SNVBAGLBSA-N 1 2 354.338 0.197 20 5 FCBDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000472692675 250173637 /nfs/dbraw/zinc/17/36/37/250173637.db2.gz NNVQXHHKJZQCEZ-AWEZNQCLSA-N 1 2 368.365 0.899 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000472692675 250173640 /nfs/dbraw/zinc/17/36/40/250173640.db2.gz NNVQXHHKJZQCEZ-AWEZNQCLSA-N 1 2 368.365 0.899 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472634677 250169026 /nfs/dbraw/zinc/16/90/26/250169026.db2.gz XTCIERFFWMJPKP-UHFFFAOYSA-N 1 2 354.338 0.463 20 5 FCBDLO COc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000472870402 250184144 /nfs/dbraw/zinc/18/41/44/250184144.db2.gz CMMYTLFMJAPEHC-TZMCWYRMSA-N 1 2 351.359 0.767 20 5 FCBDLO COc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000472870402 250184150 /nfs/dbraw/zinc/18/41/50/250184150.db2.gz CMMYTLFMJAPEHC-TZMCWYRMSA-N 1 2 351.359 0.767 20 5 FCBDLO Nc1nsc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000269630434 211027101 /nfs/dbraw/zinc/02/71/01/211027101.db2.gz FIQNTDFIZKCNLE-LBPRGKRZSA-N 1 2 350.404 0.884 20 5 FCBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766905 208062459 /nfs/dbraw/zinc/06/24/59/208062459.db2.gz NERKESZYFCGXMH-WMLDXEAASA-N 1 2 360.418 0.926 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000109428681 208257268 /nfs/dbraw/zinc/25/72/68/208257268.db2.gz SXIZCWGXWCOISE-UHFFFAOYSA-N 1 2 352.395 0.116 20 5 FCBDLO CNc1nc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412353490 533077747 /nfs/dbraw/zinc/07/77/47/533077747.db2.gz HLMQIDPZZFTBTG-LLVKDONJSA-N 1 2 365.390 0.646 20 5 FCBDLO CNc1nc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412353490 533077758 /nfs/dbraw/zinc/07/77/58/533077758.db2.gz HLMQIDPZZFTBTG-LLVKDONJSA-N 1 2 365.390 0.646 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278870462 488901548 /nfs/dbraw/zinc/90/15/48/488901548.db2.gz RVZZQNWXGIZLCZ-VXGBXAGGSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278870462 488901550 /nfs/dbraw/zinc/90/15/50/488901550.db2.gz RVZZQNWXGIZLCZ-VXGBXAGGSA-N 1 2 373.431 0.679 20 5 FCBDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000029161689 487717792 /nfs/dbraw/zinc/71/77/92/487717792.db2.gz WBMDODGYBFWVTN-UHFFFAOYSA-N 1 2 350.375 1.000 20 5 FCBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030589671 487745952 /nfs/dbraw/zinc/74/59/52/487745952.db2.gz GFQKZZVIXRNAJH-ZDUSSCGKSA-N 1 2 370.431 0.597 20 5 FCBDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030589671 487745958 /nfs/dbraw/zinc/74/59/58/487745958.db2.gz GFQKZZVIXRNAJH-ZDUSSCGKSA-N 1 2 370.431 0.597 20 5 FCBDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844740 488184259 /nfs/dbraw/zinc/18/42/59/488184259.db2.gz RMINZVAQZJVEFS-LBPRGKRZSA-N 1 2 350.375 0.395 20 5 FCBDLO O=C(C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000054153223 488219153 /nfs/dbraw/zinc/21/91/53/488219153.db2.gz VNMKDONVNPDVHE-UHFFFAOYSA-N 1 2 354.432 0.633 20 5 FCBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1csc([N+](=O)[O-])c1 ZINC000057063086 488265283 /nfs/dbraw/zinc/26/52/83/488265283.db2.gz XKZHELSLBPXRPE-UHFFFAOYSA-N 1 2 362.415 0.998 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066660024 488334719 /nfs/dbraw/zinc/33/47/19/488334719.db2.gz JHDKBGOIVAAYQR-UHFFFAOYSA-N 1 2 351.359 0.770 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000063770889 488309319 /nfs/dbraw/zinc/30/93/19/488309319.db2.gz RLLIFDIOEOLZKL-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000063770889 488309320 /nfs/dbraw/zinc/30/93/20/488309320.db2.gz RLLIFDIOEOLZKL-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065515129 488318489 /nfs/dbraw/zinc/31/84/89/488318489.db2.gz VCZRHSWCJCWAQD-UHFFFAOYSA-N 1 2 372.385 0.414 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065515129 488318492 /nfs/dbraw/zinc/31/84/92/488318492.db2.gz VCZRHSWCJCWAQD-UHFFFAOYSA-N 1 2 372.385 0.414 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066614720 488333526 /nfs/dbraw/zinc/33/35/26/488333526.db2.gz VXBJDJIRFYMKJO-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO O=C(N1CCCCC1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588213 488397437 /nfs/dbraw/zinc/39/74/37/488397437.db2.gz XNFSBXYKHFAXHO-HNNXBMFYSA-N 1 2 366.422 0.376 20 5 FCBDLO CCN(CC)C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588652 488397521 /nfs/dbraw/zinc/39/75/21/488397521.db2.gz VKEMTKOZULKDRH-CQSZACIVSA-N 1 2 354.411 0.232 20 5 FCBDLO CNC(=O)N1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000084696446 488450668 /nfs/dbraw/zinc/45/06/68/488450668.db2.gz IQYNMGSNXCGTDE-UHFFFAOYSA-N 1 2 363.374 0.850 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000562902561 491200006 /nfs/dbraw/zinc/20/00/06/491200006.db2.gz JZGFJSLMZPXJEF-ZDUSSCGKSA-N 1 2 367.406 0.491 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000562902561 491200010 /nfs/dbraw/zinc/20/00/10/491200010.db2.gz JZGFJSLMZPXJEF-ZDUSSCGKSA-N 1 2 367.406 0.491 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000271697823 488539819 /nfs/dbraw/zinc/53/98/19/488539819.db2.gz MZUKSUQCHWNBES-GFCCVEGCSA-N 1 2 371.415 0.853 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000271697823 488539820 /nfs/dbraw/zinc/53/98/20/488539820.db2.gz MZUKSUQCHWNBES-GFCCVEGCSA-N 1 2 371.415 0.853 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000271727596 488542575 /nfs/dbraw/zinc/54/25/75/488542575.db2.gz MCXKJHJFTQSODJ-UHFFFAOYSA-N 1 2 369.403 0.616 20 5 FCBDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261939921 488542994 /nfs/dbraw/zinc/54/29/94/488542994.db2.gz DNQWZNIWVVAZRW-CQSZACIVSA-N 1 2 365.415 0.805 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115516906 488544609 /nfs/dbraw/zinc/54/46/09/488544609.db2.gz AFZICHMNPSALPN-AWEZNQCLSA-N 1 2 365.434 0.961 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262117402 488551528 /nfs/dbraw/zinc/55/15/28/488551528.db2.gz WZRMOMCTNGRDAW-CYBMUJFWSA-N 1 2 365.415 0.972 20 5 FCBDLO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000119127304 488555812 /nfs/dbraw/zinc/55/58/12/488555812.db2.gz HMLVVFASCIHTFR-NHYWBVRUSA-N 1 2 374.401 0.933 20 5 FCBDLO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000119127304 488555813 /nfs/dbraw/zinc/55/58/13/488555813.db2.gz HMLVVFASCIHTFR-NHYWBVRUSA-N 1 2 374.401 0.933 20 5 FCBDLO O=C(Cn1nccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCOCC1 ZINC000119725162 488558755 /nfs/dbraw/zinc/55/87/55/488558755.db2.gz DLGCKUCTVJRUNV-UHFFFAOYSA-N 1 2 359.386 0.940 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000272247557 488569326 /nfs/dbraw/zinc/56/93/26/488569326.db2.gz SCWYLRWXZWRBCX-NSHDSACASA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000272247557 488569328 /nfs/dbraw/zinc/56/93/28/488569328.db2.gz SCWYLRWXZWRBCX-NSHDSACASA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000272247556 488569364 /nfs/dbraw/zinc/56/93/64/488569364.db2.gz SCWYLRWXZWRBCX-LLVKDONJSA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000272247556 488569367 /nfs/dbraw/zinc/56/93/67/488569367.db2.gz SCWYLRWXZWRBCX-LLVKDONJSA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122372226 488577779 /nfs/dbraw/zinc/57/77/79/488577779.db2.gz SIDJGYVFZBJDQO-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122372226 488577781 /nfs/dbraw/zinc/57/77/81/488577781.db2.gz SIDJGYVFZBJDQO-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272936800 488618254 /nfs/dbraw/zinc/61/82/54/488618254.db2.gz DAGWIAARZPFABT-INIZCTEOSA-N 1 2 362.386 0.878 20 5 FCBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000264010877 488643011 /nfs/dbraw/zinc/64/30/11/488643011.db2.gz FZOGCWRGPMXFJN-UHFFFAOYSA-N 1 2 362.346 0.476 20 5 FCBDLO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000264128502 488649576 /nfs/dbraw/zinc/64/95/76/488649576.db2.gz MKURCIYULXXAMK-UHFFFAOYSA-N 1 2 364.402 0.927 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264305118 488662122 /nfs/dbraw/zinc/66/21/22/488662122.db2.gz ZYCOFCIKZDGIIB-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO COc1cc(OCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264376254 488668547 /nfs/dbraw/zinc/66/85/47/488668547.db2.gz FUTHEHYZOIKWSB-CYBMUJFWSA-N 1 2 366.418 0.734 20 5 FCBDLO NC(=O)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c([N+](=O)[O-])c1 ZINC000273764033 488670262 /nfs/dbraw/zinc/67/02/62/488670262.db2.gz VEFKUGWHEQBKMM-UHFFFAOYSA-N 1 2 360.349 0.945 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000154805507 488747397 /nfs/dbraw/zinc/74/73/97/488747397.db2.gz RUTFXZLXLCWYBW-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000154805507 488747399 /nfs/dbraw/zinc/74/73/99/488747399.db2.gz RUTFXZLXLCWYBW-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563137940 491219874 /nfs/dbraw/zinc/21/98/74/491219874.db2.gz ALULFRPJEZGBTR-JTQLQIEISA-N 1 2 352.376 0.059 20 5 FCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(F)c1 ZINC000267028644 488754489 /nfs/dbraw/zinc/75/44/89/488754489.db2.gz UREBPQQGYNQONF-CABCVRRESA-N 1 2 373.406 0.321 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000155707013 488758323 /nfs/dbraw/zinc/75/83/23/488758323.db2.gz YNOYGVDAWPWLKX-LBPRGKRZSA-N 1 2 367.387 0.768 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000155707013 488758326 /nfs/dbraw/zinc/75/83/26/488758326.db2.gz YNOYGVDAWPWLKX-LBPRGKRZSA-N 1 2 367.387 0.768 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000267162945 488766517 /nfs/dbraw/zinc/76/65/17/488766517.db2.gz SRGKOMJFGUZJRV-UHFFFAOYSA-N 1 2 373.413 0.958 20 5 FCBDLO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1C[N@H+](C)CCO1 ZINC000157297115 488770191 /nfs/dbraw/zinc/77/01/91/488770191.db2.gz TZUZLTWWRNPIES-NHYWBVRUSA-N 1 2 360.374 0.624 20 5 FCBDLO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157297115 488770194 /nfs/dbraw/zinc/77/01/94/488770194.db2.gz TZUZLTWWRNPIES-NHYWBVRUSA-N 1 2 360.374 0.624 20 5 FCBDLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000554733048 491221753 /nfs/dbraw/zinc/22/17/53/491221753.db2.gz 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C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267648111 488809285 /nfs/dbraw/zinc/80/92/85/488809285.db2.gz WZUULGINPOOQGP-XJKSGUPXSA-N 1 2 366.418 0.547 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267648105 488809359 /nfs/dbraw/zinc/80/93/59/488809359.db2.gz WZUULGINPOOQGP-CJNGLKHVSA-N 1 2 366.418 0.547 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000267654636 488809880 /nfs/dbraw/zinc/80/98/80/488809880.db2.gz JGBYCFAPBPJWDT-AWEZNQCLSA-N 1 2 369.443 0.838 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181723736 488863790 /nfs/dbraw/zinc/86/37/90/488863790.db2.gz BNLMAVAUHLZJIY-UHFFFAOYSA-N 1 2 371.459 0.757 20 5 FCBDLO COCCOCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000288767630 489014499 /nfs/dbraw/zinc/01/44/99/489014499.db2.gz HXYOFPRCBVSONU-UHFFFAOYSA-N 1 2 355.347 0.857 20 5 FCBDLO COCCOCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000288767630 489014502 /nfs/dbraw/zinc/01/45/02/489014502.db2.gz HXYOFPRCBVSONU-UHFFFAOYSA-N 1 2 355.347 0.857 20 5 FCBDLO O=C1N[C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281231119 489061800 /nfs/dbraw/zinc/06/18/00/489061800.db2.gz FLKOMZHVWMAMRP-RISCZKNCSA-N 1 2 369.399 0.799 20 5 FCBDLO O=C1N[C@H]2CC[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CO1 ZINC000281231119 489061803 /nfs/dbraw/zinc/06/18/03/489061803.db2.gz FLKOMZHVWMAMRP-RISCZKNCSA-N 1 2 369.399 0.799 20 5 FCBDLO Cn1c[nH+]cc1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000290161715 489118427 /nfs/dbraw/zinc/11/84/27/489118427.db2.gz JOKJYAVNMZZAKM-UHFFFAOYSA-N 1 2 354.344 0.578 20 5 FCBDLO COCC[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283169880 489222846 /nfs/dbraw/zinc/22/28/46/489222846.db2.gz KVCHOIMQWPACFF-UHFFFAOYSA-N 1 2 359.404 0.306 20 5 FCBDLO COCC[N@@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283169880 489222849 /nfs/dbraw/zinc/22/28/49/489222849.db2.gz 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FCBDLO CC(C)Nc1nc(NCCO)[nH+]c(NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000286144460 489360841 /nfs/dbraw/zinc/36/08/41/489360841.db2.gz HZXNFAPOVQNSNG-UHFFFAOYSA-N 1 2 351.371 0.313 20 5 FCBDLO CC(C)Nc1nc(NCCO)nc(NCCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000286144460 489360843 /nfs/dbraw/zinc/36/08/43/489360843.db2.gz HZXNFAPOVQNSNG-UHFFFAOYSA-N 1 2 351.371 0.313 20 5 FCBDLO CC(C)Nc1nc(NCCn2cc([N+](=O)[O-])cn2)nc(NCCO)[nH+]1 ZINC000286144460 489360847 /nfs/dbraw/zinc/36/08/47/489360847.db2.gz HZXNFAPOVQNSNG-UHFFFAOYSA-N 1 2 351.371 0.313 20 5 FCBDLO NS(=O)(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000361745676 489364582 /nfs/dbraw/zinc/36/45/82/489364582.db2.gz SFKUFMGEWSGKFY-UHFFFAOYSA-N 1 2 367.387 0.898 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286387750 489386347 /nfs/dbraw/zinc/38/63/47/489386347.db2.gz OSWISZIUBHOWHZ-VXGBXAGGSA-N 1 2 370.431 0.542 20 5 FCBDLO O=C(N[C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371027292 489440699 /nfs/dbraw/zinc/44/06/99/489440699.db2.gz HDDYTQCTXBIIMB-LBPRGKRZSA-N 1 2 354.432 0.793 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000299443990 489442183 /nfs/dbraw/zinc/44/21/83/489442183.db2.gz XKWDEXMZCIEVBH-FZMZJTMJSA-N 1 2 350.375 0.160 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000299443990 489442187 /nfs/dbraw/zinc/44/21/87/489442187.db2.gz XKWDEXMZCIEVBH-FZMZJTMJSA-N 1 2 350.375 0.160 20 5 FCBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371309988 489475775 /nfs/dbraw/zinc/47/57/75/489475775.db2.gz FIYVLPLFZXPBPJ-KGLIPLIRSA-N 1 2 350.379 0.566 20 5 FCBDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371309988 489475776 /nfs/dbraw/zinc/47/57/76/489475776.db2.gz FIYVLPLFZXPBPJ-KGLIPLIRSA-N 1 2 350.379 0.566 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000371534918 489487385 /nfs/dbraw/zinc/48/73/85/489487385.db2.gz AXRHUNRNDMXSEU-DZKIICNBSA-N 1 2 368.386 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000371534918 489487386 /nfs/dbraw/zinc/48/73/86/489487386.db2.gz AXRHUNRNDMXSEU-DZKIICNBSA-N 1 2 368.386 0.987 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451630753 489512541 /nfs/dbraw/zinc/51/25/41/489512541.db2.gz GPFTXOFQWRUFER-UJNFCWOMSA-N 1 2 366.761 0.780 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451630753 489512545 /nfs/dbraw/zinc/51/25/45/489512545.db2.gz GPFTXOFQWRUFER-UJNFCWOMSA-N 1 2 366.761 0.780 20 5 FCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456212789 489610179 /nfs/dbraw/zinc/61/01/79/489610179.db2.gz HKFUFOAKBHUPEB-TXEJJXNPSA-N 1 2 363.370 0.959 20 5 FCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456212789 489610180 /nfs/dbraw/zinc/61/01/80/489610180.db2.gz HKFUFOAKBHUPEB-TXEJJXNPSA-N 1 2 363.370 0.959 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416576943 489613134 /nfs/dbraw/zinc/61/31/34/489613134.db2.gz DQQQNTSCFMMFJB-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416576943 489613136 /nfs/dbraw/zinc/61/31/36/489613136.db2.gz DQQQNTSCFMMFJB-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970792 489631521 /nfs/dbraw/zinc/63/15/21/489631521.db2.gz IUQFNMTXWULDHX-HNNXBMFYSA-N 1 2 373.369 0.786 20 5 FCBDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427970792 489631523 /nfs/dbraw/zinc/63/15/23/489631523.db2.gz IUQFNMTXWULDHX-HNNXBMFYSA-N 1 2 373.369 0.786 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428375620 489646014 /nfs/dbraw/zinc/64/60/14/489646014.db2.gz 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COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000489032005 489691968 /nfs/dbraw/zinc/69/19/68/489691968.db2.gz DGAJDZNLNBSQFC-CQSZACIVSA-N 1 2 367.358 0.806 20 5 FCBDLO CC[NH+]1CCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000459825548 489761129 /nfs/dbraw/zinc/76/11/29/489761129.db2.gz XBFYUEHYCBPHKO-UHFFFAOYSA-N 1 2 364.406 0.119 20 5 FCBDLO COc1c(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)cccc1[N+](=O)[O-] ZINC000474903661 489793384 /nfs/dbraw/zinc/79/33/84/489793384.db2.gz ADZCVDVYIKAMSW-UHFFFAOYSA-N 1 2 350.375 0.497 20 5 FCBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000376832333 489801868 /nfs/dbraw/zinc/80/18/68/489801868.db2.gz NBZPDRAMCSXBED-CQSZACIVSA-N 1 2 367.402 0.991 20 5 FCBDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000376832333 489801872 /nfs/dbraw/zinc/80/18/72/489801872.db2.gz NBZPDRAMCSXBED-CQSZACIVSA-N 1 2 367.402 0.991 20 5 FCBDLO CCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000492558682 489831658 /nfs/dbraw/zinc/83/16/58/489831658.db2.gz NPUIPTLCDBYHHF-ZDUSSCGKSA-N 1 2 363.418 0.676 20 5 FCBDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000377130308 489856129 /nfs/dbraw/zinc/85/61/29/489856129.db2.gz OMGAYOOYEVZZHH-BFHYXJOUSA-N 1 2 368.434 0.805 20 5 FCBDLO CCn1cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])n1 ZINC000420441393 489977261 /nfs/dbraw/zinc/97/72/61/489977261.db2.gz IKVHGWKLCPOJPO-MRVPVSSYSA-N 1 2 353.351 0.334 20 5 FCBDLO COc1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc([N+](=O)[O-])c1C ZINC000477780115 489990634 /nfs/dbraw/zinc/99/06/34/489990634.db2.gz NSORFICQZLRKPQ-UHFFFAOYSA-N 1 2 367.402 0.679 20 5 FCBDLO CCOC(=O)c1ccnc(NC[C@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000462878732 489994254 /nfs/dbraw/zinc/99/42/54/489994254.db2.gz NVAOCQODPGYZEX-INIZCTEOSA-N 1 2 368.390 0.662 20 5 FCBDLO O=[N+]([O-])c1ccc(NCCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463346701 490011633 /nfs/dbraw/zinc/01/16/33/490011633.db2.gz 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O=C(NCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])c1ccn[nH]1 ZINC000447802656 490277967 /nfs/dbraw/zinc/27/79/67/490277967.db2.gz MMMGRWRMYKAVEF-UHFFFAOYSA-N 1 2 374.401 0.992 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000547333724 490281131 /nfs/dbraw/zinc/28/11/31/490281131.db2.gz WSWYFZCEZZGGFK-LBPRGKRZSA-N 1 2 364.402 0.987 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000547333724 490281136 /nfs/dbraw/zinc/28/11/36/490281136.db2.gz WSWYFZCEZZGGFK-LBPRGKRZSA-N 1 2 364.402 0.987 20 5 FCBDLO Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499214251 490398773 /nfs/dbraw/zinc/39/87/73/490398773.db2.gz CJDUUMYXWDTKOH-CQSZACIVSA-N 1 2 370.369 0.731 20 5 FCBDLO Cn1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499214251 490398778 /nfs/dbraw/zinc/39/87/78/490398778.db2.gz CJDUUMYXWDTKOH-CQSZACIVSA-N 1 2 370.369 0.731 20 5 FCBDLO 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CC1(C)CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614854124 492060416 /nfs/dbraw/zinc/06/04/16/492060416.db2.gz SEHVPKHADKDJDR-UHFFFAOYSA-N 1 2 371.459 0.856 20 5 FCBDLO CC1(C)CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614854124 492060417 /nfs/dbraw/zinc/06/04/17/492060417.db2.gz SEHVPKHADKDJDR-UHFFFAOYSA-N 1 2 371.459 0.856 20 5 FCBDLO C[C@H](Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000598595475 492106468 /nfs/dbraw/zinc/10/64/68/492106468.db2.gz UCADFWAXFOQZHN-STQMWFEESA-N 1 2 366.422 0.743 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000608960523 492196127 /nfs/dbraw/zinc/19/61/27/492196127.db2.gz LQIZNFZYVMYYES-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000608960523 492196129 /nfs/dbraw/zinc/19/61/29/492196129.db2.gz LQIZNFZYVMYYES-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647712 492196575 /nfs/dbraw/zinc/19/65/75/492196575.db2.gz RZXGJJULIIAHRG-UHFFFAOYSA-N 1 2 371.419 0.099 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647108 492196693 /nfs/dbraw/zinc/19/66/93/492196693.db2.gz PFANFAMCMZLZII-SNVBAGLBSA-N 1 2 371.419 0.179 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000609178081 492199640 /nfs/dbraw/zinc/19/96/40/492199640.db2.gz GKDOBLDZAFFFSL-GFCCVEGCSA-N 1 2 353.375 0.819 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000609178081 492199641 /nfs/dbraw/zinc/19/96/41/492199641.db2.gz GKDOBLDZAFFFSL-GFCCVEGCSA-N 1 2 353.375 0.819 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000609178110 492199732 /nfs/dbraw/zinc/19/97/32/492199732.db2.gz HORKLVDOZNARLL-OLZOCXBDSA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000609178110 492199735 /nfs/dbraw/zinc/19/97/35/492199735.db2.gz HORKLVDOZNARLL-OLZOCXBDSA-N 1 2 364.402 0.550 20 5 FCBDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609538943 492212776 /nfs/dbraw/zinc/21/27/76/492212776.db2.gz JZCKZHNRADNFML-UHFFFAOYSA-N 1 2 365.390 0.133 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCn2cc[nH+]c2C1 ZINC000609619239 492216441 /nfs/dbraw/zinc/21/64/41/492216441.db2.gz MFSXUOGKRURAAD-UHFFFAOYSA-N 1 2 357.326 0.559 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3(O)CCC3)CC2)c1 ZINC000610705948 492259510 /nfs/dbraw/zinc/25/95/10/492259510.db2.gz QGLSMYWDRVPXEJ-UHFFFAOYSA-N 1 2 355.416 0.816 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1 ZINC000610723952 492259807 /nfs/dbraw/zinc/25/98/07/492259807.db2.gz LONJQLFVTFXRLO-CQSZACIVSA-N 1 2 363.370 0.928 20 5 FCBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610889319 492266436 /nfs/dbraw/zinc/26/64/36/492266436.db2.gz DJKBIWFWLONCHX-ZDUSSCGKSA-N 1 2 370.431 0.543 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000619497888 492266509 /nfs/dbraw/zinc/26/65/09/492266509.db2.gz DKBONSAEWFRNFU-RYUDHWBXSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000619497888 492266510 /nfs/dbraw/zinc/26/65/10/492266510.db2.gz DKBONSAEWFRNFU-RYUDHWBXSA-N 1 2 373.431 0.679 20 5 FCBDLO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610913575 492269283 /nfs/dbraw/zinc/26/92/83/492269283.db2.gz DYIILDWVFYSOLV-GFCCVEGCSA-N 1 2 363.370 0.913 20 5 FCBDLO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000611540040 492289826 /nfs/dbraw/zinc/28/98/26/492289826.db2.gz ZGNYNDXRNPINGP-WFASDCNBSA-N 1 2 357.432 0.776 20 5 FCBDLO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611540040 492289827 /nfs/dbraw/zinc/28/98/27/492289827.db2.gz ZGNYNDXRNPINGP-WFASDCNBSA-N 1 2 357.432 0.776 20 5 FCBDLO O=Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372110475 518202709 /nfs/dbraw/zinc/20/27/09/518202709.db2.gz DXZMJLYPXOJUJR-CQSZACIVSA-N 1 2 363.370 0.719 20 5 FCBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000442827549 534758193 /nfs/dbraw/zinc/75/81/93/534758193.db2.gz QELFQJLZRRFPAR-OAHLLOKOSA-N 1 2 368.394 0.109 20 5 FCBDLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416395219 546913633 /nfs/dbraw/zinc/91/36/33/546913633.db2.gz YTVUGVHQUAWABG-SNVBAGLBSA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000416395219 546913635 /nfs/dbraw/zinc/91/36/35/546913635.db2.gz YTVUGVHQUAWABG-SNVBAGLBSA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000592207256 546946120 /nfs/dbraw/zinc/94/61/20/546946120.db2.gz JIZDQWCSEOJLDM-BXUZGUMPSA-N 1 2 352.343 0.817 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000592207256 546946122 /nfs/dbraw/zinc/94/61/22/546946122.db2.gz JIZDQWCSEOJLDM-BXUZGUMPSA-N 1 2 352.343 0.817 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193571 546946810 /nfs/dbraw/zinc/94/68/10/546946810.db2.gz BIRCKEFOGQPQSU-GYSYKLTISA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193571 546946816 /nfs/dbraw/zinc/94/68/16/546946816.db2.gz BIRCKEFOGQPQSU-GYSYKLTISA-N 1 2 351.359 0.778 20 5 FCBDLO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000823635264 606640391 /nfs/dbraw/zinc/64/03/91/606640391.db2.gz UREXCNOCROCGST-JSGCOSHPSA-N 1 2 360.330 0.552 20 5 FCBDLO Nc1ccc(N2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000822907623 606704336 /nfs/dbraw/zinc/70/43/36/606704336.db2.gz WATPNBRKLQRHKO-UHFFFAOYSA-N 1 2 368.361 0.474 20 5 FCBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896567003 665095157 /nfs/dbraw/zinc/09/51/57/665095157.db2.gz XVZMKTFMUOLDDH-IAQYHMDHSA-N 1 2 354.382 0.863 20 5 FCBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896567003 665095159 /nfs/dbraw/zinc/09/51/59/665095159.db2.gz XVZMKTFMUOLDDH-IAQYHMDHSA-N 1 2 354.382 0.863 20 5 FCBDLO CCn1c(C)nnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431454 665166934 /nfs/dbraw/zinc/16/69/34/665166934.db2.gz OYSIHPJINGGIGA-ZIAGYGMSSA-N 1 2 350.423 0.694 20 5 FCBDLO CCn1c(C)nnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431454 665166938 /nfs/dbraw/zinc/16/69/38/665166938.db2.gz OYSIHPJINGGIGA-ZIAGYGMSSA-N 1 2 350.423 0.694 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCO1 ZINC000731624210 666827297 /nfs/dbraw/zinc/82/72/97/666827297.db2.gz CWLQYMCHFLWSJR-LBPRGKRZSA-N 1 2 351.359 0.623 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCO1 ZINC000731624210 666827302 /nfs/dbraw/zinc/82/73/02/666827302.db2.gz CWLQYMCHFLWSJR-LBPRGKRZSA-N 1 2 351.359 0.623 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000754487891 667598763 /nfs/dbraw/zinc/59/87/63/667598763.db2.gz DMZFRIDZDCUDKA-RUZDIDTESA-N 1 2 366.443 0.980 20 5 FCBDLO CCn1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000838943607 667966196 /nfs/dbraw/zinc/96/61/96/667966196.db2.gz ILLVQPCQNCFYJW-UHFFFAOYSA-N 1 2 354.392 0.274 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000804497941 669382905 /nfs/dbraw/zinc/38/29/05/669382905.db2.gz KJBPKHZSXOWYDT-RUZDIDTESA-N 1 2 365.415 0.744 20 5 FCBDLO COC(=O)Cc1ccc(N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000827669331 669589587 /nfs/dbraw/zinc/58/95/87/669589587.db2.gz ZERBHLPUZOEBOX-VWLOTQADSA-N 1 2 369.443 0.811 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166519 670642883 /nfs/dbraw/zinc/64/28/83/670642883.db2.gz PUBLIEQFFYSUEE-ZIAGYGMSSA-N 1 2 351.359 0.382 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166519 670642885 /nfs/dbraw/zinc/64/28/85/670642885.db2.gz PUBLIEQFFYSUEE-ZIAGYGMSSA-N 1 2 351.359 0.382 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC000974114510 1183002622 /nfs/dbraw/zinc/00/26/22/1183002622.db2.gz HYKIQUCIWBGTHG-XJFOESAGSA-N 1 2 357.370 0.685 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000552167231 1193911977 /nfs/dbraw/zinc/91/19/77/1193911977.db2.gz SIYMIAVPFWDIKD-CYBMUJFWSA-N 1 2 365.386 0.975 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000552167231 1193911981 /nfs/dbraw/zinc/91/19/81/1193911981.db2.gz SIYMIAVPFWDIKD-CYBMUJFWSA-N 1 2 365.386 0.975 20 5 FCBDLO CNc1nccc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000553164582 1193977477 /nfs/dbraw/zinc/97/74/77/1193977477.db2.gz WGBIPIUMWGSYQB-LLVKDONJSA-N 1 2 365.390 0.741 20 5 FCBDLO CN(CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccccc1[N+](=O)[O-] ZINC000913468825 1196440007 /nfs/dbraw/zinc/44/00/07/1196440007.db2.gz PVDWMBKBZAGRLP-AWEZNQCLSA-N 1 2 358.402 0.938 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000593886719 1196836525 /nfs/dbraw/zinc/83/65/25/1196836525.db2.gz NUGVXTOVCHYNJW-UHFFFAOYSA-N 1 2 369.422 0.334 20 5 FCBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771033176 1200517934 /nfs/dbraw/zinc/51/79/34/1200517934.db2.gz NHGIQKZFVASTTM-HNNXBMFYSA-N 1 2 359.386 0.878 20 5 FCBDLO COc1ccc(C[C@H](C)[NH+]2CC(N3CCN(C)C(=O)C3)C2)c([N+](=O)[O-])c1 ZINC001170345880 1201208053 /nfs/dbraw/zinc/20/80/53/1201208053.db2.gz NEJLBIKCGILIRE-ZDUSSCGKSA-N 1 2 362.430 0.993 20 5 FCBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000823397573 1203258003 /nfs/dbraw/zinc/25/80/03/1203258003.db2.gz NIXJNSULUSJNLK-JTQLQIEISA-N 1 2 365.346 0.919 20 5 FCBDLO O=C(NCc1cn(C2C[NH+](CC3=CCCCC3)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001094291342 1206215171 /nfs/dbraw/zinc/21/51/71/1206215171.db2.gz PEOJIWAPTDZJSW-HZPDHXFCSA-N 1 2 360.418 0.917 20 5 FCBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273319 1208489255 /nfs/dbraw/zinc/48/92/55/1208489255.db2.gz AETUSGOJSPFUND-DYVFJYSZSA-N 1 2 362.430 0.913 20 5 FCBDLO O=C1[C@H]2C[N@@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000853529787 1209596591 /nfs/dbraw/zinc/59/65/91/1209596591.db2.gz KAZFPRDPAUEKBW-GASCZTMLSA-N 1 2 355.354 0.866 20 5 FCBDLO O=C1[C@H]2C[N@H+](Cn3cc([N+](=O)[O-])cn3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000853529787 1209596596 /nfs/dbraw/zinc/59/65/96/1209596596.db2.gz KAZFPRDPAUEKBW-GASCZTMLSA-N 1 2 355.354 0.866 20 5 FCBDLO C[C@@H]1C[N@H+](CCOC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000800082903 1210711442 /nfs/dbraw/zinc/71/14/42/1210711442.db2.gz CCDBFITVXPOCPG-CYBMUJFWSA-N 1 2 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214127096 /nfs/dbraw/zinc/12/70/96/214127096.db2.gz BPYOWTKYIPKVLH-INIZCTEOSA-N 1 2 374.401 0.979 20 5 FCBDLO CN(C(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000292848681 214127098 /nfs/dbraw/zinc/12/70/98/214127098.db2.gz BPYOWTKYIPKVLH-INIZCTEOSA-N 1 2 374.401 0.979 20 5 FCBDLO CCn1cc[nH+]c1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000296785336 214362517 /nfs/dbraw/zinc/36/25/17/214362517.db2.gz DEJUAZYLTJHMAS-UHFFFAOYSA-N 1 2 357.326 0.724 20 5 FCBDLO CN(C)[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1c[nH+]cn1C ZINC000296997083 214373993 /nfs/dbraw/zinc/37/39/93/214373993.db2.gz QOVPAVIWEVDOJN-HNNXBMFYSA-N 1 2 373.417 0.675 20 5 FCBDLO COC(=O)CNC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290702354 213985038 /nfs/dbraw/zinc/98/50/38/213985038.db2.gz NQDYIALXCAGDDA-UHFFFAOYSA-N 1 2 359.342 0.714 20 5 FCBDLO Cn1cnc([N+](=O)[O-])c1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265606981 210176903 /nfs/dbraw/zinc/17/69/03/210176903.db2.gz 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FCBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000332158204 215103774 /nfs/dbraw/zinc/10/37/74/215103774.db2.gz RZIYDPXTDJWGMF-UHFFFAOYSA-N 1 2 354.432 0.752 20 5 FCBDLO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332284948 215122688 /nfs/dbraw/zinc/12/26/88/215122688.db2.gz KFFVNWCVLSXLQI-HNNXBMFYSA-N 1 2 362.386 0.491 20 5 FCBDLO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332284948 215122691 /nfs/dbraw/zinc/12/26/91/215122691.db2.gz KFFVNWCVLSXLQI-HNNXBMFYSA-N 1 2 362.386 0.491 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000284515335 213157774 /nfs/dbraw/zinc/15/77/74/213157774.db2.gz ODNBBNOPUOVMSR-UONOGXRCSA-N 1 2 351.407 0.730 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000284515335 213157777 /nfs/dbraw/zinc/15/77/77/213157777.db2.gz ODNBBNOPUOVMSR-UONOGXRCSA-N 1 2 351.407 0.730 20 5 FCBDLO CN(C)C(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411955940 237121525 /nfs/dbraw/zinc/12/15/25/237121525.db2.gz QRLXQKNTOCACKD-GFCCVEGCSA-N 1 2 355.416 0.779 20 5 FCBDLO CN(C)C(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411955940 237121535 /nfs/dbraw/zinc/12/15/35/237121535.db2.gz QRLXQKNTOCACKD-GFCCVEGCSA-N 1 2 355.416 0.779 20 5 FCBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cccc1[N+](=O)[O-] ZINC000366800257 216033211 /nfs/dbraw/zinc/03/32/11/216033211.db2.gz ZISICHBMKRLKAG-WHOFXGATSA-N 1 2 362.386 0.820 20 5 FCBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cccc1[N+](=O)[O-] ZINC000366800257 216033214 /nfs/dbraw/zinc/03/32/14/216033214.db2.gz ZISICHBMKRLKAG-WHOFXGATSA-N 1 2 362.386 0.820 20 5 FCBDLO NS(=O)(=O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000367128431 216079286 /nfs/dbraw/zinc/07/92/86/216079286.db2.gz ATKZIORLMCPIOC-UHFFFAOYSA-N 1 2 368.415 0.237 20 5 FCBDLO COC(=O)C1(O)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000367454196 216126361 /nfs/dbraw/zinc/12/63/61/216126361.db2.gz MZCIJDCOTLXWPK-AWEZNQCLSA-N 1 2 363.370 0.700 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246195522 209381007 /nfs/dbraw/zinc/38/10/07/209381007.db2.gz OLBICHPIXXUORB-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246195522 209381011 /nfs/dbraw/zinc/38/10/11/209381011.db2.gz OLBICHPIXXUORB-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376871 216392044 /nfs/dbraw/zinc/39/20/44/216392044.db2.gz ABZHUEMQOXIEHF-YUELXQCFSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376871 216392048 /nfs/dbraw/zinc/39/20/48/216392048.db2.gz ABZHUEMQOXIEHF-YUELXQCFSA-N 1 2 354.359 0.597 20 5 FCBDLO NS(=O)(=O)c1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000277532870 212370769 /nfs/dbraw/zinc/37/07/69/212370769.db2.gz WESJVHDSWUSDBO-UHFFFAOYSA-N 1 2 356.404 0.519 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187965983 209220754 /nfs/dbraw/zinc/22/07/54/209220754.db2.gz XABLFAWKIMDXIS-ZDUSSCGKSA-N 1 2 357.432 0.466 20 5 FCBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000373264254 217001799 /nfs/dbraw/zinc/00/17/99/217001799.db2.gz CEDZIOCJKAQYBG-LBPRGKRZSA-N 1 2 359.404 0.735 20 5 FCBDLO COc1ccc(OCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000373264254 217001801 /nfs/dbraw/zinc/00/18/01/217001801.db2.gz CEDZIOCJKAQYBG-LBPRGKRZSA-N 1 2 359.404 0.735 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000275382259 212016350 /nfs/dbraw/zinc/01/63/50/212016350.db2.gz BDBKERWUHCZREI-LLVKDONJSA-N 1 2 351.359 0.520 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000182170006 209127774 /nfs/dbraw/zinc/12/77/74/209127774.db2.gz HDEAUNKYJSTBNY-AWEZNQCLSA-N 1 2 359.386 0.947 20 5 FCBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182344219 209129241 /nfs/dbraw/zinc/12/92/41/209129241.db2.gz XJQZHDHYBZJQNV-UHFFFAOYSA-N 1 2 362.839 0.654 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])n1 ZINC000435802875 248019854 /nfs/dbraw/zinc/01/98/54/248019854.db2.gz ZXFNSIVUOWCWIO-UHFFFAOYSA-N 1 2 366.403 0.717 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444394833 248358392 /nfs/dbraw/zinc/35/83/92/248358392.db2.gz JGSBNXNAQXAZJI-UHFFFAOYSA-N 1 2 366.418 0.468 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444394833 248358394 /nfs/dbraw/zinc/35/83/94/248358394.db2.gz JGSBNXNAQXAZJI-UHFFFAOYSA-N 1 2 366.418 0.468 20 5 FCBDLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000270990773 211312598 /nfs/dbraw/zinc/31/25/98/211312598.db2.gz YATHKWGRUKIPRQ-UHFFFAOYSA-N 1 2 361.358 0.550 20 5 FCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271045370 211322336 /nfs/dbraw/zinc/32/23/36/211322336.db2.gz HWHYWEZOITUKQC-AWEZNQCLSA-N 1 2 356.448 0.303 20 5 FCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271045370 211322339 /nfs/dbraw/zinc/32/23/39/211322339.db2.gz HWHYWEZOITUKQC-AWEZNQCLSA-N 1 2 356.448 0.303 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000473186068 250204646 /nfs/dbraw/zinc/20/46/46/250204646.db2.gz BHPGYAPBCQVUGF-YPMHNXCESA-N 1 2 365.342 0.501 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000473186068 250204651 /nfs/dbraw/zinc/20/46/51/250204651.db2.gz BHPGYAPBCQVUGF-YPMHNXCESA-N 1 2 365.342 0.501 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000269762919 211069969 /nfs/dbraw/zinc/06/99/69/211069969.db2.gz CLDDZQGRCRNSQU-AWEZNQCLSA-N 1 2 373.431 0.217 20 5 FCBDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068833641 208029743 /nfs/dbraw/zinc/02/97/43/208029743.db2.gz NGEUWIUDBHOVMF-HNNXBMFYSA-N 1 2 362.430 0.960 20 5 FCBDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068833641 208029752 /nfs/dbraw/zinc/02/97/52/208029752.db2.gz NGEUWIUDBHOVMF-HNNXBMFYSA-N 1 2 362.430 0.960 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000106381471 208222412 /nfs/dbraw/zinc/22/24/12/208222412.db2.gz GUIFQBGIHNIUIP-AWEZNQCLSA-N 1 2 357.432 0.980 20 5 FCBDLO CC(=O)N1CCN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000114336486 208310134 /nfs/dbraw/zinc/31/01/34/208310134.db2.gz JHNMZVGKXAEGCE-UHFFFAOYSA-N 1 2 372.385 0.916 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000117106890 208341349 /nfs/dbraw/zinc/34/13/49/208341349.db2.gz GQAZCJVGSRGPMA-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO C[N@@H+](Cc1cnn(-c2ccccc2)n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266513288 210349160 /nfs/dbraw/zinc/34/91/60/210349160.db2.gz FQPDVWWRIYYSGF-INIZCTEOSA-N 1 2 357.374 0.865 20 5 FCBDLO C[N@H+](Cc1cnn(-c2ccccc2)n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266513288 210349163 /nfs/dbraw/zinc/34/91/63/210349163.db2.gz FQPDVWWRIYYSGF-INIZCTEOSA-N 1 2 357.374 0.865 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180300877 209094375 /nfs/dbraw/zinc/09/43/75/209094375.db2.gz MIVWFRFCTZVDDN-OAHLLOKOSA-N 1 2 357.432 0.813 20 5 FCBDLO COc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000299717139 488870041 /nfs/dbraw/zinc/87/00/41/488870041.db2.gz ROUJQMHWJPMTSU-ZDUSSCGKSA-N 1 2 368.415 0.835 20 5 FCBDLO COc1ccc(NC(=O)CC[N@H+]2CCSC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000299717139 488870044 /nfs/dbraw/zinc/87/00/44/488870044.db2.gz ROUJQMHWJPMTSU-ZDUSSCGKSA-N 1 2 368.415 0.835 20 5 FCBDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301786087 488884131 /nfs/dbraw/zinc/88/41/31/488884131.db2.gz LIAWKVLJFZMQNP-ZDUSSCGKSA-N 1 2 366.422 0.006 20 5 FCBDLO O=C(CCNc1ncc([N+](=O)[O-])cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000302172928 488887338 /nfs/dbraw/zinc/88/73/38/488887338.db2.gz VOXKCADDPYQWFC-UHFFFAOYSA-N 1 2 357.374 0.931 20 5 FCBDLO CNC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000278689781 488890378 /nfs/dbraw/zinc/89/03/78/488890378.db2.gz LWHCWQKWDSPIRJ-UHFFFAOYSA-N 1 2 350.375 0.558 20 5 FCBDLO NC(=O)c1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000027366872 487693411 /nfs/dbraw/zinc/69/34/11/487693411.db2.gz PVVMCLHVEFXKJD-UHFFFAOYSA-N 1 2 361.402 0.090 20 5 FCBDLO CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029669610 487728998 /nfs/dbraw/zinc/72/89/98/487728998.db2.gz CKYDVVCLFWUWPL-CYBMUJFWSA-N 1 2 363.418 0.676 20 5 FCBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031931906 487766722 /nfs/dbraw/zinc/76/67/22/487766722.db2.gz NGWUXAAAKNYATI-OAHLLOKOSA-N 1 2 368.415 0.221 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032275847 487772064 /nfs/dbraw/zinc/77/20/64/487772064.db2.gz ICYFUSGAFRLAOE-INIZCTEOSA-N 1 2 359.386 0.809 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032275847 487772067 /nfs/dbraw/zinc/77/20/67/487772067.db2.gz ICYFUSGAFRLAOE-INIZCTEOSA-N 1 2 359.386 0.809 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000046814654 487993182 /nfs/dbraw/zinc/99/31/82/487993182.db2.gz ARBGSSZRTGJBCW-UHFFFAOYSA-N 1 2 370.431 0.225 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051121252 488123735 /nfs/dbraw/zinc/12/37/35/488123735.db2.gz DKWVYZRWIZRQAO-UHFFFAOYSA-N 1 2 366.418 0.354 20 5 FCBDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424228 488131863 /nfs/dbraw/zinc/13/18/63/488131863.db2.gz PYURHOAZMJLZJU-ZFWWWQNUSA-N 1 2 363.418 0.796 20 5 FCBDLO CN(CCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000052589824 488172985 /nfs/dbraw/zinc/17/29/85/488172985.db2.gz RDEROPOUBRSYDO-UHFFFAOYSA-N 1 2 372.447 0.424 20 5 FCBDLO CN(CCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000052589824 488172987 /nfs/dbraw/zinc/17/29/87/488172987.db2.gz RDEROPOUBRSYDO-UHFFFAOYSA-N 1 2 372.447 0.424 20 5 FCBDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052703660 488178977 /nfs/dbraw/zinc/17/89/77/488178977.db2.gz YHUPOPJNYOCELM-UHFFFAOYSA-N 1 2 352.347 0.849 20 5 FCBDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052703660 488178979 /nfs/dbraw/zinc/17/89/79/488178979.db2.gz YHUPOPJNYOCELM-UHFFFAOYSA-N 1 2 352.347 0.849 20 5 FCBDLO NC(=O)NC(=O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000065950491 488323724 /nfs/dbraw/zinc/32/37/24/488323724.db2.gz BYAOHTDVYMZZNS-UHFFFAOYSA-N 1 2 369.403 0.389 20 5 FCBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCOCC1 ZINC000066452738 488329764 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MLUTWIXCRFNCJA-UHFFFAOYSA-N 1 2 351.407 0.841 20 5 FCBDLO Cc1noc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595423837 491930402 /nfs/dbraw/zinc/93/04/02/491930402.db2.gz CJPZDAMVKBKFHA-LBPRGKRZSA-N 1 2 374.419 0.518 20 5 FCBDLO Cc1noc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595423837 491930403 /nfs/dbraw/zinc/93/04/03/491930403.db2.gz CJPZDAMVKBKFHA-LBPRGKRZSA-N 1 2 374.419 0.518 20 5 FCBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(O)(CO)CC2)c([N+](=O)[O-])c1 ZINC000595731215 491951239 /nfs/dbraw/zinc/95/12/39/491951239.db2.gz BXWYGUOCYWDEMO-LLVKDONJSA-N 1 2 353.375 0.750 20 5 FCBDLO CC1(C)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614854120 492060361 /nfs/dbraw/zinc/06/03/61/492060361.db2.gz RLWUDQAHZHTXKJ-UHFFFAOYSA-N 1 2 361.395 0.811 20 5 FCBDLO CC1(C)CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614854120 492060362 /nfs/dbraw/zinc/06/03/62/492060362.db2.gz RLWUDQAHZHTXKJ-UHFFFAOYSA-N 1 2 361.395 0.811 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000604563197 492063730 /nfs/dbraw/zinc/06/37/30/492063730.db2.gz AUFRZUAQXMFPJF-CHWSQXEVSA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000604563197 492063731 /nfs/dbraw/zinc/06/37/31/492063731.db2.gz AUFRZUAQXMFPJF-CHWSQXEVSA-N 1 2 364.402 0.550 20 5 FCBDLO CNc1nccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1[N+](=O)[O-] ZINC000598343160 492095635 /nfs/dbraw/zinc/09/56/35/492095635.db2.gz RLTIXXRJHBVRCK-UHFFFAOYSA-N 1 2 363.418 1.216 20 5 FCBDLO Cc1c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598459559 492099964 /nfs/dbraw/zinc/09/99/64/492099964.db2.gz IILPJIJLPROCLS-VIFPVBQESA-N 1 2 367.387 0.775 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598634752 492110757 /nfs/dbraw/zinc/11/07/57/492110757.db2.gz RVOVEJCSDKLAHO-QWHCGFSZSA-N 1 2 366.422 0.743 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598634752 492110760 /nfs/dbraw/zinc/11/07/60/492110760.db2.gz RVOVEJCSDKLAHO-QWHCGFSZSA-N 1 2 366.422 0.743 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895990 492120840 /nfs/dbraw/zinc/12/08/40/492120840.db2.gz BVEJBOLULKTHIW-LBPRGKRZSA-N 1 2 365.390 0.553 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895990 492120842 /nfs/dbraw/zinc/12/08/42/492120842.db2.gz BVEJBOLULKTHIW-LBPRGKRZSA-N 1 2 365.390 0.553 20 5 FCBDLO Cn1cc(N2CC[C@H]([NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2=O)cn1 ZINC000609538894 492212607 /nfs/dbraw/zinc/21/26/07/492212607.db2.gz IOBGQCPGCVWDNP-HNNXBMFYSA-N 1 2 371.401 0.651 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1[N+](=O)[O-] ZINC000610113630 492234967 /nfs/dbraw/zinc/23/49/67/492234967.db2.gz GFWAHMLSGYABRI-UHFFFAOYSA-N 1 2 362.394 0.320 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1[N+](=O)[O-] ZINC000610113630 492234969 /nfs/dbraw/zinc/23/49/69/492234969.db2.gz GFWAHMLSGYABRI-UHFFFAOYSA-N 1 2 362.394 0.320 20 5 FCBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619483043 492265184 /nfs/dbraw/zinc/26/51/84/492265184.db2.gz IKJYFAKPMBFZDQ-UHFFFAOYSA-N 1 2 373.431 0.946 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610898815 492267393 /nfs/dbraw/zinc/26/73/93/492267393.db2.gz FGVVLIFZDLMJTQ-HZMBPMFUSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610898815 492267394 /nfs/dbraw/zinc/26/73/94/492267394.db2.gz FGVVLIFZDLMJTQ-HZMBPMFUSA-N 1 2 359.404 0.601 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611271309 492283478 /nfs/dbraw/zinc/28/34/78/492283478.db2.gz LNMXWPNOYUJEPV-UHFFFAOYSA-N 1 2 371.415 0.880 20 5 FCBDLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440491835 535665532 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WEPMFZBDUNGRHK-AAEUAGOBSA-N 1 2 351.359 0.698 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651271 546985802 /nfs/dbraw/zinc/98/58/02/546985802.db2.gz AZCOKFPBLHNUHO-LLVKDONJSA-N 1 2 357.388 0.043 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651271 546985806 /nfs/dbraw/zinc/98/58/06/546985806.db2.gz AZCOKFPBLHNUHO-LLVKDONJSA-N 1 2 357.388 0.043 20 5 FCBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccncc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823651959 599288599 /nfs/dbraw/zinc/28/85/99/599288599.db2.gz TUNUIWSTRDTNAU-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO Nc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c[nH+]1 ZINC000737775757 598667145 /nfs/dbraw/zinc/66/71/45/598667145.db2.gz BWKBVWLPUISMSK-UHFFFAOYSA-N 1 2 368.361 0.474 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000954239429 674492559 /nfs/dbraw/zinc/49/25/59/674492559.db2.gz HLARHGDSEKTPLW-CHWSQXEVSA-N 1 2 350.375 0.289 20 5 FCBDLO CC[N@@H+](Cc1nnc(C)[nH]1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713242 674551282 /nfs/dbraw/zinc/55/12/82/674551282.db2.gz UBZJSPDBQJTYDR-ZIAGYGMSSA-N 1 2 350.423 0.839 20 5 FCBDLO CC[N@H+](Cc1nnc(C)[nH]1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713242 674551285 /nfs/dbraw/zinc/55/12/85/674551285.db2.gz UBZJSPDBQJTYDR-ZIAGYGMSSA-N 1 2 350.423 0.839 20 5 FCBDLO CC[N@@H+](Cc1ncnn1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713000 674551350 /nfs/dbraw/zinc/55/13/50/674551350.db2.gz FOVKQSPKBCDPDF-ZIAGYGMSSA-N 1 2 350.423 0.541 20 5 FCBDLO CC[N@H+](Cc1ncnn1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713000 674551352 /nfs/dbraw/zinc/55/13/52/674551352.db2.gz FOVKQSPKBCDPDF-ZIAGYGMSSA-N 1 2 350.423 0.541 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920017276 667219735 /nfs/dbraw/zinc/21/97/35/667219735.db2.gz ATJVKNFDJPWNSA-OCCSQVGLSA-N 1 2 356.448 0.816 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920017276 667219736 /nfs/dbraw/zinc/21/97/36/667219736.db2.gz ATJVKNFDJPWNSA-OCCSQVGLSA-N 1 2 356.448 0.816 20 5 FCBDLO CN(CC(=O)OCCn1cc[nH+]c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000771981063 668285043 /nfs/dbraw/zinc/28/50/43/668285043.db2.gz WKQCSEQYCHAOQU-UHFFFAOYSA-N 1 2 368.371 0.655 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823981502 669368179 /nfs/dbraw/zinc/36/81/79/669368179.db2.gz YVWRSBHMJPEEPS-GFCCVEGCSA-N 1 2 353.379 0.334 20 5 FCBDLO COC(=O)Cc1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000827669328 669589550 /nfs/dbraw/zinc/58/95/50/669589550.db2.gz ZERBHLPUZOEBOX-RUZDIDTESA-N 1 2 369.443 0.811 20 5 FCBDLO Cc1c(C(=O)OCCc2c[nH+]cn2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000837529586 670113924 /nfs/dbraw/zinc/11/39/24/670113924.db2.gz MEBJOISYIUIUKN-UHFFFAOYSA-N 1 2 368.371 0.684 20 5 FCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000854962030 671619818 /nfs/dbraw/zinc/61/98/18/671619818.db2.gz RQPMUYAYECDMJU-UHFFFAOYSA-N 1 2 367.387 0.297 20 5 FCBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547764157 1168324864 /nfs/dbraw/zinc/32/48/64/1168324864.db2.gz SMGKHEOPZNULGA-GFCCVEGCSA-N 1 2 359.390 0.653 20 5 FCBDLO CN(CC[NH2+]Cc1nc(CC(F)(F)F)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691314731 1171077562 /nfs/dbraw/zinc/07/75/62/1171077562.db2.gz GCVCHIIXRYISTA-HTQZYQBOSA-N 1 2 351.285 0.388 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC000978841513 1186012541 /nfs/dbraw/zinc/01/25/41/1186012541.db2.gz MDTKPWIOVCKOJX-FAAHXZRKSA-N 1 2 371.397 0.933 20 5 FCBDLO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896570144 1190096087 /nfs/dbraw/zinc/09/60/87/1190096087.db2.gz JVRNDMRAXJWTBY-WBMJQRKESA-N 1 2 360.418 0.695 20 5 FCBDLO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CC[N@H+]1C ZINC000896570144 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CCOC(=O)COc1ncc(NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162687706 850327206 /nfs/dbraw/zinc/32/72/06/850327206.db2.gz DVOLXMKDBFOEQN-GFCCVEGCSA-N 1 2 354.363 0.674 20 5 FCBDLO CCOC(=O)COc1ncc(NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001162687706 850327213 /nfs/dbraw/zinc/32/72/13/850327213.db2.gz DVOLXMKDBFOEQN-GFCCVEGCSA-N 1 2 354.363 0.674 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])cn1 ZINC001163411848 850366192 /nfs/dbraw/zinc/36/61/92/850366192.db2.gz JERQLVWPNALEED-JTQLQIEISA-N 1 2 355.738 0.500 20 5 FCBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001169019820 850602556 /nfs/dbraw/zinc/60/25/56/850602556.db2.gz JTUUHXCENDEHBP-ZIAGYGMSSA-N 1 2 350.423 0.371 20 5 FCBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001169019820 850602565 /nfs/dbraw/zinc/60/25/65/850602565.db2.gz JTUUHXCENDEHBP-ZIAGYGMSSA-N 1 2 350.423 0.371 20 5 FCBDLO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCC[NH+]1CC=CC1)OCCO2 ZINC001318869797 867768007 /nfs/dbraw/zinc/76/80/07/867768007.db2.gz LMUIDYKEVZGGGM-UHFFFAOYSA-N 1 2 355.372 0.516 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001319326733 867886640 /nfs/dbraw/zinc/88/66/40/867886640.db2.gz LKQDAUGYTZMHSO-UHFFFAOYSA-N 1 2 350.375 0.808 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001322468349 868824863 /nfs/dbraw/zinc/82/48/63/868824863.db2.gz JVAOZPFUEITKGA-UHFFFAOYSA-N 1 2 354.338 0.132 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001322468349 868824873 /nfs/dbraw/zinc/82/48/73/868824873.db2.gz JVAOZPFUEITKGA-UHFFFAOYSA-N 1 2 354.338 0.132 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292286829 214091003 /nfs/dbraw/zinc/09/10/03/214091003.db2.gz TYJAWXWCHOQXIJ-CYBMUJFWSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292286829 214091006 /nfs/dbraw/zinc/09/10/06/214091006.db2.gz TYJAWXWCHOQXIJ-CYBMUJFWSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000296646023 214359224 /nfs/dbraw/zinc/35/92/24/214359224.db2.gz VUWLKZVVMQOQDS-SNVBAGLBSA-N 1 2 354.338 0.428 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000296646023 214359228 /nfs/dbraw/zinc/35/92/28/214359228.db2.gz VUWLKZVVMQOQDS-SNVBAGLBSA-N 1 2 354.338 0.428 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000291346548 214028225 /nfs/dbraw/zinc/02/82/25/214028225.db2.gz RJXSSNHMOMEMOD-UHFFFAOYSA-N 1 2 364.402 0.886 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000291205432 214019282 /nfs/dbraw/zinc/01/92/82/214019282.db2.gz HBVHNVOLQDEERI-GFCCVEGCSA-N 1 2 364.402 0.621 20 5 FCBDLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000173467367 529802860 /nfs/dbraw/zinc/80/28/60/529802860.db2.gz ODNKZHOPEXPCIH-SNVBAGLBSA-N 1 2 359.394 0.509 20 5 FCBDLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000173467367 529802862 /nfs/dbraw/zinc/80/28/62/529802862.db2.gz ODNKZHOPEXPCIH-SNVBAGLBSA-N 1 2 359.394 0.509 20 5 FCBDLO C[C@@H](CCO)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265587174 210172897 /nfs/dbraw/zinc/17/28/97/210172897.db2.gz OVPRBSRAEPZEFZ-LBPRGKRZSA-N 1 2 372.447 0.714 20 5 FCBDLO O=C(C[N@H+]1CCC[C@@H](OCCO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265170853 210068038 /nfs/dbraw/zinc/06/80/38/210068038.db2.gz BLADPJPAUGSFEY-LLVKDONJSA-N 1 2 367.358 0.735 20 5 FCBDLO O=C(C[N@@H+]1CCC[C@@H](OCCO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265170853 210068042 /nfs/dbraw/zinc/06/80/42/210068042.db2.gz BLADPJPAUGSFEY-LLVKDONJSA-N 1 2 367.358 0.735 20 5 FCBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331819730 215050862 /nfs/dbraw/zinc/05/08/62/215050862.db2.gz HEZIOIJUJNZHGZ-ZDUSSCGKSA-N 1 2 350.423 0.457 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000283739639 213002417 /nfs/dbraw/zinc/00/24/17/213002417.db2.gz GQKSCBSQEBVMAB-UHFFFAOYSA-N 1 2 353.400 0.990 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000283739639 213002422 /nfs/dbraw/zinc/00/24/22/213002422.db2.gz GQKSCBSQEBVMAB-UHFFFAOYSA-N 1 2 353.400 0.990 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000190168882 209266485 /nfs/dbraw/zinc/26/64/85/209266485.db2.gz OVEPPPWOJXBVAG-ZDUSSCGKSA-N 1 2 357.432 0.899 20 5 FCBDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188777214 209237713 /nfs/dbraw/zinc/23/77/13/209237713.db2.gz WDYARGPAQGDCIF-JTQLQIEISA-N 1 2 357.374 0.685 20 5 FCBDLO CNS(=O)(=O)c1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000277413215 212358490 /nfs/dbraw/zinc/35/84/90/212358490.db2.gz KZJPSZMWDISSPE-UHFFFAOYSA-N 1 2 370.431 0.780 20 5 FCBDLO NS(=O)(=O)c1cc(NCC2([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000277417239 212357836 /nfs/dbraw/zinc/35/78/36/212357836.db2.gz LHUFSTXGMTXJNG-UHFFFAOYSA-N 1 2 356.404 0.519 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000188286034 209228736 /nfs/dbraw/zinc/22/87/36/209228736.db2.gz MDZDZIUGHIXFIH-GFCCVEGCSA-N 1 2 357.432 0.899 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000275754463 212085527 /nfs/dbraw/zinc/08/55/27/212085527.db2.gz YCFKGZVUKAQZDI-SNVBAGLBSA-N 1 2 370.793 0.712 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000275627493 212063366 /nfs/dbraw/zinc/06/33/66/212063366.db2.gz KIADVPIYLCVIOB-SNVBAGLBSA-N 1 2 370.793 0.712 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000275282231 212000492 /nfs/dbraw/zinc/00/04/92/212000492.db2.gz KIADVPIYLCVIOB-JTQLQIEISA-N 1 2 370.793 0.712 20 5 FCBDLO COCC[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183442163 209146212 /nfs/dbraw/zinc/14/62/12/209146212.db2.gz ARDNHFZZXSJQTF-UHFFFAOYSA-N 1 2 357.432 0.731 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000182403660 209131130 /nfs/dbraw/zinc/13/11/30/209131130.db2.gz BJWXACFREBKDJQ-CQSZACIVSA-N 1 2 357.432 0.980 20 5 FCBDLO Cc1ccc(N2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2=O)cc1 ZINC000375616706 217290153 /nfs/dbraw/zinc/29/01/53/217290153.db2.gz IYRSLALRLAIDFF-INIZCTEOSA-N 1 2 359.386 0.809 20 5 FCBDLO Cc1ccc(N2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2=O)cc1 ZINC000375616706 217290156 /nfs/dbraw/zinc/29/01/56/217290156.db2.gz IYRSLALRLAIDFF-INIZCTEOSA-N 1 2 359.386 0.809 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000274243971 211811313 /nfs/dbraw/zinc/81/13/13/211811313.db2.gz GWLHRYGCHAJYOP-UHFFFAOYSA-N 1 2 350.375 0.287 20 5 FCBDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000376110720 217357602 /nfs/dbraw/zinc/35/76/02/217357602.db2.gz HAKCZAZZJUSEBB-UHFFFAOYSA-N 1 2 352.347 0.406 20 5 FCBDLO CCOC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000376110720 217357603 /nfs/dbraw/zinc/35/76/03/217357603.db2.gz HAKCZAZZJUSEBB-UHFFFAOYSA-N 1 2 352.347 0.406 20 5 FCBDLO CN(C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000115958306 206097461 /nfs/dbraw/zinc/09/74/61/206097461.db2.gz GQDRMJUMPVKTAI-UHFFFAOYSA-N 1 2 370.431 0.550 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273070510 211663326 /nfs/dbraw/zinc/66/33/26/211663326.db2.gz ZPGFOOAIGPPAJJ-MLGOLLRUSA-N 1 2 362.386 0.925 20 5 FCBDLO CN1C(=O)CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000425084053 247290042 /nfs/dbraw/zinc/29/00/42/247290042.db2.gz IVEXCHYTJUOILY-LLVKDONJSA-N 1 2 357.326 0.658 20 5 FCBDLO C[C@](O)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000443251908 248316504 /nfs/dbraw/zinc/31/65/04/248316504.db2.gz PBWLKQHACUOPLM-HNNXBMFYSA-N 1 2 373.431 0.097 20 5 FCBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000446310055 248386733 /nfs/dbraw/zinc/38/67/33/248386733.db2.gz KOZSJJBCFLCBAI-UHFFFAOYSA-N 1 2 358.402 0.963 20 5 FCBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271319037 211378872 /nfs/dbraw/zinc/37/88/72/211378872.db2.gz WXEKCMNJCAUBPJ-AWEZNQCLSA-N 1 2 364.402 0.973 20 5 FCBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271319037 211378876 /nfs/dbraw/zinc/37/88/76/211378876.db2.gz WXEKCMNJCAUBPJ-AWEZNQCLSA-N 1 2 364.402 0.973 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271301307 211374208 /nfs/dbraw/zinc/37/42/08/211374208.db2.gz FLOGFTNHMOLHKJ-AWEZNQCLSA-N 1 2 370.431 0.571 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271301307 211374213 /nfs/dbraw/zinc/37/42/13/211374213.db2.gz FLOGFTNHMOLHKJ-AWEZNQCLSA-N 1 2 370.431 0.571 20 5 FCBDLO NC(=O)C[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271050143 211323626 /nfs/dbraw/zinc/32/36/26/211323626.db2.gz UZNNYXDQUAQLMQ-UHFFFAOYSA-N 1 2 357.208 0.960 20 5 FCBDLO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270846743 211282177 /nfs/dbraw/zinc/28/21/77/211282177.db2.gz GYWUCWQLODOUSX-LBPRGKRZSA-N 1 2 350.375 0.448 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000472692676 250174050 /nfs/dbraw/zinc/17/40/50/250174050.db2.gz NNVQXHHKJZQCEZ-CQSZACIVSA-N 1 2 368.365 0.899 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000472692676 250174055 /nfs/dbraw/zinc/17/40/55/250174055.db2.gz NNVQXHHKJZQCEZ-CQSZACIVSA-N 1 2 368.365 0.899 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000269753957 211066619 /nfs/dbraw/zinc/06/66/19/211066619.db2.gz AOHSWVQANIKLKO-HNNXBMFYSA-N 1 2 373.431 0.050 20 5 FCBDLO C[NH+]1CCN(C(=O)CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000074137436 208051100 /nfs/dbraw/zinc/05/11/00/208051100.db2.gz FDJSMZBIWRVJIE-UHFFFAOYSA-N 1 2 360.374 0.365 20 5 FCBDLO Cc1noc(C)c1C[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072582749 208036251 /nfs/dbraw/zinc/03/62/51/208036251.db2.gz PGJXSSKSLMMITD-OAHLLOKOSA-N 1 2 364.406 0.575 20 5 FCBDLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766903 208061269 /nfs/dbraw/zinc/06/12/69/208061269.db2.gz NERKESZYFCGXMH-YOEHRIQHSA-N 1 2 360.418 0.926 20 5 FCBDLO Cc1nsc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000090559074 208129356 /nfs/dbraw/zinc/12/93/56/208129356.db2.gz OZMMJRIDAJQONX-UHFFFAOYSA-N 1 2 350.404 0.739 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087496585 208115648 /nfs/dbraw/zinc/11/56/48/208115648.db2.gz LGRYEIWONPJCIY-INIZCTEOSA-N 1 2 351.403 0.679 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCN(C)CC1 ZINC000096999280 208160258 /nfs/dbraw/zinc/16/02/58/208160258.db2.gz JJOBWVXVZMEDJL-LBPRGKRZSA-N 1 2 374.438 0.896 20 5 FCBDLO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000117259902 208342633 /nfs/dbraw/zinc/34/26/33/208342633.db2.gz 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O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000178926060 209066480 /nfs/dbraw/zinc/06/64/80/209066480.db2.gz DFWIKWFBAFVDDN-UHFFFAOYSA-N 1 2 357.432 0.779 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3c[nH+]c[nH]3)CC2)c1 ZINC000179538297 209081429 /nfs/dbraw/zinc/08/14/29/209081429.db2.gz HLFBCDGFMVVYKM-UHFFFAOYSA-N 1 2 351.388 0.824 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3c[nH]c[nH+]3)CC2)c1 ZINC000179538297 209081434 /nfs/dbraw/zinc/08/14/34/209081434.db2.gz HLFBCDGFMVVYKM-UHFFFAOYSA-N 1 2 351.388 0.824 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000301888742 488885486 /nfs/dbraw/zinc/88/54/86/488885486.db2.gz NDIHADLLIZEVOS-NEPJUHHUSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000301888742 488885488 /nfs/dbraw/zinc/88/54/88/488885488.db2.gz NDIHADLLIZEVOS-NEPJUHHUSA-N 1 2 357.432 0.890 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000326906820 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C[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+]1CCN(C)CC1 ZINC000264808069 488714553 /nfs/dbraw/zinc/71/45/53/488714553.db2.gz DECQMLVXRPXWLM-LLVKDONJSA-N 1 2 357.436 0.290 20 5 FCBDLO COc1ccc(NC(=O)C[NH+]2CCC(NC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000266849728 488736864 /nfs/dbraw/zinc/73/68/64/488736864.db2.gz CLSMCYQBUNISHX-UHFFFAOYSA-N 1 2 351.363 0.675 20 5 FCBDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000155348613 488754458 /nfs/dbraw/zinc/75/44/58/488754458.db2.gz GJZQKTTXGMBNMA-CQSZACIVSA-N 1 2 359.386 0.991 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000275121189 488763611 /nfs/dbraw/zinc/76/36/11/488763611.db2.gz HCEPFVZRQMEVJU-NSHDSACASA-N 1 2 351.359 0.505 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267276064 488773789 /nfs/dbraw/zinc/77/37/89/488773789.db2.gz BEBSVLAEQCVFBD-NSHDSACASA-N 1 2 350.375 0.886 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267477381 488789982 /nfs/dbraw/zinc/78/99/82/488789982.db2.gz AYPDGEGAEHEURP-UHFFFAOYSA-N 1 2 363.418 0.728 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000164873947 488810977 /nfs/dbraw/zinc/81/09/77/488810977.db2.gz DZSFIPSZYISCHO-IUODEOHRSA-N 1 2 357.432 0.776 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000164873947 488810978 /nfs/dbraw/zinc/81/09/78/488810978.db2.gz DZSFIPSZYISCHO-IUODEOHRSA-N 1 2 357.432 0.776 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000173456261 488843051 /nfs/dbraw/zinc/84/30/51/488843051.db2.gz UMJVXLYKLOCZNV-GFCCVEGCSA-N 1 2 374.438 0.896 20 5 FCBDLO Cc1nn(C)c(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000174415470 488849041 /nfs/dbraw/zinc/84/90/41/488849041.db2.gz SLSGQKRPLZEKRR-SECBINFHSA-N 1 2 352.420 0.886 20 5 FCBDLO CCOCCN1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182234259 488864353 /nfs/dbraw/zinc/86/43/53/488864353.db2.gz GLQAUVBMFYHUET-OAHLLOKOSA-N 1 2 353.419 0.989 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280623046 489022119 /nfs/dbraw/zinc/02/21/19/489022119.db2.gz FXQRDGLDUVCHNX-CVEARBPZSA-N 1 2 371.397 0.903 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280623046 489022120 /nfs/dbraw/zinc/02/21/20/489022120.db2.gz FXQRDGLDUVCHNX-CVEARBPZSA-N 1 2 371.397 0.903 20 5 FCBDLO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC(=O)N(C)C1=O ZINC000554840035 491228643 /nfs/dbraw/zinc/22/86/43/491228643.db2.gz NODKZNUBZQZOKI-OAHLLOKOSA-N 1 2 374.397 0.953 20 5 FCBDLO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC(=O)N(C)C1=O ZINC000554840035 491228645 /nfs/dbraw/zinc/22/86/45/491228645.db2.gz NODKZNUBZQZOKI-OAHLLOKOSA-N 1 2 374.397 0.953 20 5 FCBDLO O=C(Cn1cnnn1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000554882194 491230179 /nfs/dbraw/zinc/23/01/79/491230179.db2.gz IFPGDEPIFMCECK-HYXAFXHYSA-N 1 2 357.374 0.439 20 5 FCBDLO CC(C)n1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000289902884 489101419 /nfs/dbraw/zinc/10/14/19/489101419.db2.gz YMPYLAHXRQALHT-UHFFFAOYSA-N 1 2 368.419 0.835 20 5 FCBDLO COC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282421876 489162852 /nfs/dbraw/zinc/16/28/52/489162852.db2.gz JJYWSOADMMBIPI-TYNCELHUSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282421876 489162854 /nfs/dbraw/zinc/16/28/54/489162854.db2.gz JJYWSOADMMBIPI-TYNCELHUSA-N 1 2 354.359 0.597 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000297533271 489206485 /nfs/dbraw/zinc/20/64/85/489206485.db2.gz WDYOBIOUADRCBY-UHFFFAOYSA-N 1 2 368.365 0.771 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000297890503 489258476 /nfs/dbraw/zinc/25/84/76/489258476.db2.gz OBKNMDQEEFCPCM-CYBMUJFWSA-N 1 2 364.402 0.987 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000298295133 489313581 /nfs/dbraw/zinc/31/35/81/489313581.db2.gz KEVKCSQTEIGING-UHFFFAOYSA-N 1 2 369.447 0.209 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298499833 489331869 /nfs/dbraw/zinc/33/18/69/489331869.db2.gz KBDRMTBUGOUQEA-YPMHNXCESA-N 1 2 367.358 0.540 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298499833 489331871 /nfs/dbraw/zinc/33/18/71/489331871.db2.gz KBDRMTBUGOUQEA-YPMHNXCESA-N 1 2 367.358 0.540 20 5 FCBDLO Nc1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000298721165 489356599 /nfs/dbraw/zinc/35/65/99/489356599.db2.gz NYRMOQQRNVUZQV-UHFFFAOYSA-N 1 2 363.422 0.492 20 5 FCBDLO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286573450 489405493 /nfs/dbraw/zinc/40/54/93/489405493.db2.gz WBQKAMWSKDGDTR-UHFFFAOYSA-N 1 2 369.802 0.980 20 5 FCBDLO CC[N@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286573450 489405490 /nfs/dbraw/zinc/40/54/90/489405490.db2.gz WBQKAMWSKDGDTR-UHFFFAOYSA-N 1 2 369.802 0.980 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000299203220 489416665 /nfs/dbraw/zinc/41/66/65/489416665.db2.gz GMLQHTRMHQSLMX-UHFFFAOYSA-N 1 2 364.402 0.941 20 5 FCBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000371108310 489453421 /nfs/dbraw/zinc/45/34/21/489453421.db2.gz RKEJJUHXVNBZMQ-GFCCVEGCSA-N 1 2 356.404 0.153 20 5 FCBDLO CCOC1CC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)([NH+]2CCOCC2)C1 ZINC000287221574 489470700 /nfs/dbraw/zinc/47/07/00/489470700.db2.gz VVMGGHZZUMQHQP-UHFFFAOYSA-N 1 2 353.379 0.318 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000287326931 489477756 /nfs/dbraw/zinc/47/77/56/489477756.db2.gz VQDXTYYDOMIQSC-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416576945 489613419 /nfs/dbraw/zinc/61/34/19/489613419.db2.gz DQQQNTSCFMMFJB-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416576945 489613421 /nfs/dbraw/zinc/61/34/21/489613421.db2.gz DQQQNTSCFMMFJB-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000427865719 489624398 /nfs/dbraw/zinc/62/43/98/489624398.db2.gz IVNWOLXISIFSID-CQSZACIVSA-N 1 2 350.375 0.760 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000427865719 489624401 /nfs/dbraw/zinc/62/44/01/489624401.db2.gz IVNWOLXISIFSID-CQSZACIVSA-N 1 2 350.375 0.760 20 5 FCBDLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000457985323 489665327 /nfs/dbraw/zinc/66/53/27/489665327.db2.gz SZZGCKNKFWJISI-UHFFFAOYSA-N 1 2 365.386 0.912 20 5 FCBDLO Cn1c2[nH]c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])nc2c(=O)n(C)c1=O ZINC000429263716 489678577 /nfs/dbraw/zinc/67/85/77/489678577.db2.gz KFCNCDDSMOYRRI-UHFFFAOYSA-N 1 2 372.385 0.893 20 5 FCBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N(CCO)CC[NH+]1CCOCC1 ZINC000491377048 489802091 /nfs/dbraw/zinc/80/20/91/489802091.db2.gz ZMEDGJPJVUXWSL-UHFFFAOYSA-N 1 2 366.418 0.473 20 5 FCBDLO Cc1cc(OCC(=O)N(CCO)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000432253766 489834734 /nfs/dbraw/zinc/83/47/34/489834734.db2.gz LGXBPZVVORRKNA-UHFFFAOYSA-N 1 2 367.402 0.435 20 5 FCBDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476164353 489871259 /nfs/dbraw/zinc/87/12/59/489871259.db2.gz RDPYKDVBXMZOIY-UHFFFAOYSA-N 1 2 361.406 0.637 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494697980 489906450 /nfs/dbraw/zinc/90/64/50/489906450.db2.gz GWIMBEJNPLLSGY-RYUDHWBXSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494697980 489906453 /nfs/dbraw/zinc/90/64/53/489906453.db2.gz GWIMBEJNPLLSGY-RYUDHWBXSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494735622 489910460 /nfs/dbraw/zinc/91/04/60/489910460.db2.gz PJALOYIEYQVARR-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494735622 489910463 /nfs/dbraw/zinc/91/04/63/489910463.db2.gz PJALOYIEYQVARR-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000377645746 489936697 /nfs/dbraw/zinc/93/66/97/489936697.db2.gz JRNXHHSYEWDDDQ-AWEZNQCLSA-N 1 2 371.415 0.975 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000377645746 489936699 /nfs/dbraw/zinc/93/66/99/489936699.db2.gz JRNXHHSYEWDDDQ-AWEZNQCLSA-N 1 2 371.415 0.975 20 5 FCBDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521376829 490254227 /nfs/dbraw/zinc/25/42/27/490254227.db2.gz OPBQLZTVXJRIBJ-JTQLQIEISA-N 1 2 357.388 0.691 20 5 FCBDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521376829 490254229 /nfs/dbraw/zinc/25/42/29/490254229.db2.gz OPBQLZTVXJRIBJ-JTQLQIEISA-N 1 2 357.388 0.691 20 5 FCBDLO CNC(=O)N[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447802722 490279430 /nfs/dbraw/zinc/27/94/30/490279430.db2.gz NETPWAWSGRVOGI-CQSZACIVSA-N 1 2 363.418 0.935 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000467483003 490297102 /nfs/dbraw/zinc/29/71/02/490297102.db2.gz DMHBBZKGUDXLDU-INIZCTEOSA-N 1 2 353.375 0.416 20 5 FCBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000467492442 490300381 /nfs/dbraw/zinc/30/03/81/490300381.db2.gz XWVNXRKHQGDHTM-MRXNPFEDSA-N 1 2 353.375 0.416 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483603362 490332677 /nfs/dbraw/zinc/33/26/77/490332677.db2.gz SNKPMHDWIXLHMT-AWEZNQCLSA-N 1 2 367.406 0.049 20 5 FCBDLO Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499214250 490398836 /nfs/dbraw/zinc/39/88/36/490398836.db2.gz CJDUUMYXWDTKOH-AWEZNQCLSA-N 1 2 370.369 0.731 20 5 FCBDLO Cn1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000499214250 490398841 /nfs/dbraw/zinc/39/88/41/490398841.db2.gz CJDUUMYXWDTKOH-AWEZNQCLSA-N 1 2 370.369 0.731 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000548175024 490431564 /nfs/dbraw/zinc/43/15/64/490431564.db2.gz XRYHBARYCPTNBU-UHFFFAOYSA-N 1 2 358.402 0.880 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCOC3)c([N+](=O)[O-])c2)CC1 ZINC000468749006 490443795 /nfs/dbraw/zinc/44/37/95/490443795.db2.gz YZCGCZBHNKDBIF-GFCCVEGCSA-N 1 2 370.431 0.732 20 5 FCBDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000450383894 490463571 /nfs/dbraw/zinc/46/35/71/490463571.db2.gz AGJVDTPONPJFOK-ZDUSSCGKSA-N 1 2 364.406 0.063 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510671432 490532890 /nfs/dbraw/zinc/53/28/90/490532890.db2.gz RVYYFELCJOXODE-RYUDHWBXSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510671432 490532893 /nfs/dbraw/zinc/53/28/93/490532893.db2.gz RVYYFELCJOXODE-RYUDHWBXSA-N 1 2 370.431 0.922 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000510660867 490533097 /nfs/dbraw/zinc/53/30/97/490533097.db2.gz UCBGAQKFRSTOMS-LBPRGKRZSA-N 1 2 367.387 0.898 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000510660867 490533099 /nfs/dbraw/zinc/53/30/99/490533099.db2.gz UCBGAQKFRSTOMS-LBPRGKRZSA-N 1 2 367.387 0.898 20 5 FCBDLO Cn1cc[nH+]c1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000485573008 490544551 /nfs/dbraw/zinc/54/45/51/490544551.db2.gz VOPKYPNPUYQBCH-UHFFFAOYSA-N 1 2 367.387 0.313 20 5 FCBDLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000512737719 490695437 /nfs/dbraw/zinc/69/54/37/490695437.db2.gz AYSVFWIVRCCITF-UHFFFAOYSA-N 1 2 374.397 0.431 20 5 FCBDLO CCS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541273889 490856946 /nfs/dbraw/zinc/85/69/46/490856946.db2.gz NSMYERJJUGNZTH-CYBMUJFWSA-N 1 2 373.431 0.302 20 5 FCBDLO NS(=O)(=O)c1cccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000541835830 490874479 /nfs/dbraw/zinc/87/44/79/490874479.db2.gz JQGOUJYZLMLEFU-UHFFFAOYSA-N 1 2 366.403 0.288 20 5 FCBDLO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000517873399 490923400 /nfs/dbraw/zinc/92/34/00/490923400.db2.gz KWQQAAWFJVDAQI-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H](Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[C@@H](C)[NH+]1CCOCC1 ZINC000517873060 490923482 /nfs/dbraw/zinc/92/34/82/490923482.db2.gz BSJMYRGLRXDABQ-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO Cc1cccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000518637567 490947777 /nfs/dbraw/zinc/94/77/77/490947777.db2.gz WICFYQQBZLUCEP-UHFFFAOYSA-N 1 2 350.375 0.081 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519167587 490963993 /nfs/dbraw/zinc/96/39/93/490963993.db2.gz CJLPIZWNZHZTBU-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519167587 490963994 /nfs/dbraw/zinc/96/39/94/490963994.db2.gz CJLPIZWNZHZTBU-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165084 490989294 /nfs/dbraw/zinc/98/92/94/490989294.db2.gz XDQSYPDYWRDOQR-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000557635214 491388615 /nfs/dbraw/zinc/38/86/15/491388615.db2.gz GNSRPAYMSITLBQ-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000567601528 491517107 /nfs/dbraw/zinc/51/71/07/491517107.db2.gz WGOJPTDGEHJQTM-OAHLLOKOSA-N 1 2 353.375 0.704 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000568947359 491621583 /nfs/dbraw/zinc/62/15/83/491621583.db2.gz CYURPQNPDZDNPU-COPLHBTASA-N 1 2 353.375 0.606 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000568947359 491621586 /nfs/dbraw/zinc/62/15/86/491621586.db2.gz CYURPQNPDZDNPU-COPLHBTASA-N 1 2 353.375 0.606 20 5 FCBDLO COCCN1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000569241795 491645027 /nfs/dbraw/zinc/64/50/27/491645027.db2.gz BJMXAGCCMSOARP-UHFFFAOYSA-N 1 2 359.342 0.669 20 5 FCBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000579492483 491699217 /nfs/dbraw/zinc/69/92/17/491699217.db2.gz HEIBRPCYAXXTKM-UHFFFAOYSA-N 1 2 364.450 1.177 20 5 FCBDLO CNc1nccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)c1[N+](=O)[O-] ZINC000579612198 491701572 /nfs/dbraw/zinc/70/15/72/491701572.db2.gz BENHDHVWYDQDAJ-NSHDSACASA-N 1 2 365.390 0.646 20 5 FCBDLO CNc1nccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)c1[N+](=O)[O-] ZINC000579612198 491701573 /nfs/dbraw/zinc/70/15/73/491701573.db2.gz 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O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590355771 491773921 /nfs/dbraw/zinc/77/39/21/491773921.db2.gz HUMBASDPYSYQMN-UHFFFAOYSA-N 1 2 362.346 0.994 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCc2[nH]c[nH+]c2C1 ZINC000590377597 491774487 /nfs/dbraw/zinc/77/44/87/491774487.db2.gz LDTWTHKIIQBGAT-UHFFFAOYSA-N 1 2 357.326 0.628 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCc2[nH+]c[nH]c2C1 ZINC000590377597 491774488 /nfs/dbraw/zinc/77/44/88/491774488.db2.gz LDTWTHKIIQBGAT-UHFFFAOYSA-N 1 2 357.326 0.628 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000590555902 491779148 /nfs/dbraw/zinc/77/91/48/491779148.db2.gz UAKOJOWYLGPTSV-ZDUSSCGKSA-N 1 2 369.447 0.458 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCc2c[nH+]c(C)nc2N)ccc1[N+](=O)[O-] ZINC000582174048 491801081 /nfs/dbraw/zinc/80/10/81/491801081.db2.gz RFNXOCWFUATNRL-UHFFFAOYSA-N 1 2 358.358 0.630 20 5 FCBDLO O=C(CCn1cc[nH+]c1)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000583778720 491851969 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GDSOYYGMZMKMDS-NEPJUHHUSA-N 1 2 350.375 0.759 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426944 491985120 /nfs/dbraw/zinc/98/51/20/491985120.db2.gz DLBYBZMROJRYSC-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426944 491985123 /nfs/dbraw/zinc/98/51/23/491985123.db2.gz DLBYBZMROJRYSC-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@@H](C)CO1 ZINC000596428026 491985219 /nfs/dbraw/zinc/98/52/19/491985219.db2.gz GNCZKQUHSZSVCR-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@@H](C)CO1 ZINC000596428026 491985220 /nfs/dbraw/zinc/98/52/20/491985220.db2.gz GNCZKQUHSZSVCR-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000602759970 491997363 /nfs/dbraw/zinc/99/73/63/491997363.db2.gz TVPYHVPVWHHEIN-UHFFFAOYSA-N 1 2 364.450 0.730 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000602759970 491997365 /nfs/dbraw/zinc/99/73/65/491997365.db2.gz TVPYHVPVWHHEIN-UHFFFAOYSA-N 1 2 364.450 0.730 20 5 FCBDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602766506 491997417 /nfs/dbraw/zinc/99/74/17/491997417.db2.gz MGXOXZVJDDAJCL-CYBMUJFWSA-N 1 2 352.439 0.632 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598460654 492100067 /nfs/dbraw/zinc/10/00/67/492100067.db2.gz VWFVHAHFQZFRFG-JTQLQIEISA-N 1 2 361.358 0.944 20 5 FCBDLO Nc1nn2c(nc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2=O)[nH]1 ZINC000598591028 492105926 /nfs/dbraw/zinc/10/59/26/492105926.db2.gz YEXQXAZSGZSALN-UHFFFAOYSA-N 1 2 370.373 0.061 20 5 FCBDLO CCOc1cc(N2CC[NH+](CCS(=O)(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000598612589 492108751 /nfs/dbraw/zinc/10/87/51/492108751.db2.gz YMIYWUKHZWYVJX-UHFFFAOYSA-N 1 2 372.447 0.665 20 5 FCBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599130331 492137591 /nfs/dbraw/zinc/13/75/91/492137591.db2.gz URJRXNHBMZGLJB-INIZCTEOSA-N 1 2 365.390 0.116 20 5 FCBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000599130331 492137594 /nfs/dbraw/zinc/13/75/94/492137594.db2.gz URJRXNHBMZGLJB-INIZCTEOSA-N 1 2 365.390 0.116 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599618480 492194226 /nfs/dbraw/zinc/19/42/26/492194226.db2.gz MSJDYWPVDQBOBD-UHFFFAOYSA-N 1 2 352.366 0.904 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599618480 492194228 /nfs/dbraw/zinc/19/42/28/492194228.db2.gz MSJDYWPVDQBOBD-UHFFFAOYSA-N 1 2 352.366 0.904 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599623232 492194898 /nfs/dbraw/zinc/19/48/98/492194898.db2.gz KGVOCVAMSNGLJI-CALCHBBNSA-N 1 2 367.402 0.855 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599623232 492194899 /nfs/dbraw/zinc/19/48/99/492194899.db2.gz KGVOCVAMSNGLJI-CALCHBBNSA-N 1 2 367.402 0.855 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000609178082 492199878 /nfs/dbraw/zinc/19/98/78/492199878.db2.gz GKDOBLDZAFFFSL-LBPRGKRZSA-N 1 2 353.375 0.819 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000609178082 492199881 /nfs/dbraw/zinc/19/98/81/492199881.db2.gz GKDOBLDZAFFFSL-LBPRGKRZSA-N 1 2 353.375 0.819 20 5 FCBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000609841259 492224020 /nfs/dbraw/zinc/22/40/20/492224020.db2.gz KGFBRBIRDOFFDC-DGCLKSJQSA-N 1 2 368.438 0.664 20 5 FCBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)COC1 ZINC000609851292 492224951 /nfs/dbraw/zinc/22/49/51/492224951.db2.gz HDYAHERHVYDDGC-UHFFFAOYSA-N 1 2 355.416 0.938 20 5 FCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000609989541 492230394 /nfs/dbraw/zinc/23/03/94/492230394.db2.gz IKXKMCUZBPQBCD-UHFFFAOYSA-N 1 2 367.387 0.597 20 5 FCBDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000610450264 492246465 /nfs/dbraw/zinc/24/64/65/492246465.db2.gz CHYOOXTYTAOWGT-OLZOCXBDSA-N 1 2 356.379 0.195 20 5 FCBDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000610450264 492246467 /nfs/dbraw/zinc/24/64/67/492246467.db2.gz CHYOOXTYTAOWGT-OLZOCXBDSA-N 1 2 356.379 0.195 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000610705950 492259341 /nfs/dbraw/zinc/25/93/41/492259341.db2.gz SCVVFSUKJOWZHV-UHFFFAOYSA-N 1 2 355.416 0.816 20 5 FCBDLO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611104315 492278369 /nfs/dbraw/zinc/27/83/69/492278369.db2.gz PRPGHQJVBDSWPU-NSHDSACASA-N 1 2 356.404 0.153 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c([N+](=O)[O-])n1 ZINC000611540718 492289862 /nfs/dbraw/zinc/28/98/62/492289862.db2.gz QCISXCUYDCTFOU-RYUDHWBXSA-N 1 2 373.435 0.031 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000551184911 546534280 /nfs/dbraw/zinc/53/42/80/546534280.db2.gz PZDIDIZQQNKMPH-UHFFFAOYSA-N 1 2 370.431 0.842 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000592207263 546946012 /nfs/dbraw/zinc/94/60/12/546946012.db2.gz JIZDQWCSEOJLDM-SMDDNHRTSA-N 1 2 352.343 0.817 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000592207263 546946016 /nfs/dbraw/zinc/94/60/16/546946016.db2.gz JIZDQWCSEOJLDM-SMDDNHRTSA-N 1 2 352.343 0.817 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592199890 546946175 /nfs/dbraw/zinc/94/61/75/546946175.db2.gz VEZQCJLYHIEYJW-UTUOFQBUSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000592199890 546946177 /nfs/dbraw/zinc/94/61/77/546946177.db2.gz VEZQCJLYHIEYJW-UTUOFQBUSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593086366 546963759 /nfs/dbraw/zinc/96/37/59/546963759.db2.gz JJYWSOADMMBIPI-HUBLWGQQSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593086366 546963761 /nfs/dbraw/zinc/96/37/61/546963761.db2.gz JJYWSOADMMBIPI-HUBLWGQQSA-N 1 2 354.359 0.597 20 5 FCBDLO CC(=O)Nc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022064914 663398925 /nfs/dbraw/zinc/39/89/25/663398925.db2.gz QRUKFQSNVWEVRH-RBLKWDMZSA-N 1 2 353.404 0.504 20 5 FCBDLO C[N@H+](Cc1ncnn1CCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432174 665166951 /nfs/dbraw/zinc/16/69/51/665166951.db2.gz WWIDQYFZQAQIBD-CHWSQXEVSA-N 1 2 354.386 0.336 20 5 FCBDLO C[N@@H+](Cc1ncnn1CCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432174 665166954 /nfs/dbraw/zinc/16/69/54/665166954.db2.gz WWIDQYFZQAQIBD-CHWSQXEVSA-N 1 2 354.386 0.336 20 5 FCBDLO COc1ccc(CSCC(=O)N2CC[N@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000912748019 666472887 /nfs/dbraw/zinc/47/28/87/666472887.db2.gz ZWLASTXGMXYACT-CYBMUJFWSA-N 1 2 369.443 0.972 20 5 FCBDLO COc1ccc(CSCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000912748019 666472889 /nfs/dbraw/zinc/47/28/89/666472889.db2.gz ZWLASTXGMXYACT-CYBMUJFWSA-N 1 2 369.443 0.972 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000731648315 666828822 /nfs/dbraw/zinc/82/88/22/666828822.db2.gz LCQNQZAPWXTVGR-UHFFFAOYSA-N 1 2 355.416 0.834 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000731663775 666831235 /nfs/dbraw/zinc/83/12/35/666831235.db2.gz WHMVYQRIFAKTQS-UHFFFAOYSA-N 1 2 371.419 0.010 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429972 666921149 /nfs/dbraw/zinc/92/11/49/666921149.db2.gz XPGOJCQSMQGBQR-VXGBXAGGSA-N 1 2 351.411 0.174 20 5 FCBDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000920008840 667218426 /nfs/dbraw/zinc/21/84/26/667218426.db2.gz HQALVVKJHMYSMZ-PWSUYJOCSA-N 1 2 360.411 0.647 20 5 FCBDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000920008840 667218431 /nfs/dbraw/zinc/21/84/31/667218431.db2.gz HQALVVKJHMYSMZ-PWSUYJOCSA-N 1 2 360.411 0.647 20 5 FCBDLO COCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034643201 667762062 /nfs/dbraw/zinc/76/20/62/667762062.db2.gz KDTVKVFJILRVDN-DDHJBXDOSA-N 1 2 353.379 0.398 20 5 FCBDLO CNC(=O)c1ccc(N2CC[NH+](CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000741750729 668023292 /nfs/dbraw/zinc/02/32/92/668023292.db2.gz ZRFOIWMOORQHID-DEOSSOPVSA-N 1 2 354.432 0.455 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774904369 668182285 /nfs/dbraw/zinc/18/22/85/668182285.db2.gz RIHHAMYQKWJYJO-DEOSSOPVSA-N 1 2 356.404 0.999 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000807283436 669481822 /nfs/dbraw/zinc/48/18/22/669481822.db2.gz HQZIIPNZPHRDQZ-VIFPVBQESA-N 1 2 350.335 0.609 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827049430 669535934 /nfs/dbraw/zinc/53/59/34/669535934.db2.gz XQCOGTGOSRXBPC-UHFFFAOYSA-N 1 2 373.406 0.973 20 5 FCBDLO Cn1cc(Cl)c(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814303 675898338 /nfs/dbraw/zinc/89/83/38/675898338.db2.gz DGAQAHZRMUAFQU-FBKDDSFISA-N 1 2 353.810 0.629 20 5 FCBDLO Cn1cc(Cl)c(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814303 675898341 /nfs/dbraw/zinc/89/83/41/675898341.db2.gz DGAQAHZRMUAFQU-FBKDDSFISA-N 1 2 353.810 0.629 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(C[NH+](CCC3CCOCC3)C2)C1 ZINC001053253387 675992421 /nfs/dbraw/zinc/99/24/21/675992421.db2.gz IJIJUOWFVLPRDB-HUUCEWRRSA-N 1 2 353.419 0.382 20 5 FCBDLO O=C(NCC1=CC[N@H+](CC2CCS(=O)(=O)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673568 676058715 /nfs/dbraw/zinc/05/87/15/676058715.db2.gz GNLVGCDULCMTIY-HUUCEWRRSA-N 1 2 371.459 0.225 20 5 FCBDLO O=C(NCC1=CC[N@@H+](CC2CCS(=O)(=O)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673568 676058718 /nfs/dbraw/zinc/05/87/18/676058718.db2.gz GNLVGCDULCMTIY-HUUCEWRRSA-N 1 2 371.459 0.225 20 5 FCBDLO Cc1ncoc1C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949366062 1169366861 /nfs/dbraw/zinc/36/68/61/1169366861.db2.gz SKCZHPSNSJYFAX-ZIAGYGMSSA-N 1 2 364.402 0.842 20 5 FCBDLO Cc1ncoc1C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949366062 1169366866 /nfs/dbraw/zinc/36/68/66/1169366866.db2.gz SKCZHPSNSJYFAX-ZIAGYGMSSA-N 1 2 364.402 0.842 20 5 FCBDLO Cc1ncoc1C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001087257050 1180335607 /nfs/dbraw/zinc/33/56/07/1180335607.db2.gz XVVOUQPKFQZRAH-GHMZBOCLSA-N 1 2 362.346 0.050 20 5 FCBDLO Cn1c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2ccccc21 ZINC001025775428 1182831333 /nfs/dbraw/zinc/83/13/33/1182831333.db2.gz ZLEAZXZCRQPXNQ-MVERIQSTSA-N 1 2 355.398 0.785 20 5 FCBDLO Cn1c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2ccccc21 ZINC001025775428 1182831336 /nfs/dbraw/zinc/83/13/36/1182831336.db2.gz ZLEAZXZCRQPXNQ-MVERIQSTSA-N 1 2 355.398 0.785 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000979754385 1186117123 /nfs/dbraw/zinc/11/71/23/1186117123.db2.gz WXDSYQLUFNBSLK-BGOOENEXSA-N 1 2 365.390 0.026 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592192569 1196560454 /nfs/dbraw/zinc/56/04/54/1196560454.db2.gz CCKGCJZMBSNGDE-BYCMXARLSA-N 1 2 363.370 0.556 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592192569 1196560458 /nfs/dbraw/zinc/56/04/58/1196560458.db2.gz CCKGCJZMBSNGDE-BYCMXARLSA-N 1 2 363.370 0.556 20 5 FCBDLO Cn1ccnc1C(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507514 1196798948 /nfs/dbraw/zinc/79/89/48/1196798948.db2.gz JRQHNQXYXCVIJK-CQSZACIVSA-N 1 2 371.397 0.815 20 5 FCBDLO Cn1ccnc1C(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507514 1196798954 /nfs/dbraw/zinc/79/89/54/1196798954.db2.gz JRQHNQXYXCVIJK-CQSZACIVSA-N 1 2 371.397 0.815 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000593885832 1196833460 /nfs/dbraw/zinc/83/34/60/1196833460.db2.gz BQNYNWMIQMEJIU-UHFFFAOYSA-N 1 2 367.402 0.781 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000593887868 1196837202 /nfs/dbraw/zinc/83/72/02/1196837202.db2.gz ZMXRJSBUYVTSQH-UHFFFAOYSA-N 1 2 367.402 0.781 20 5 FCBDLO CCOC(=O)CNC(=O)C1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000771866988 1200660012 /nfs/dbraw/zinc/66/00/12/1200660012.db2.gz PICQXNFNECWAKA-UHFFFAOYSA-N 1 2 367.406 0.757 20 5 FCBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000786929928 1200858422 /nfs/dbraw/zinc/85/84/22/1200858422.db2.gz PBTKKCGNGQXXGZ-UHFFFAOYSA-N 1 2 360.374 0.958 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001178463240 1206357633 /nfs/dbraw/zinc/35/76/33/1206357633.db2.gz BNXRXQLFPIIWRF-CHWSQXEVSA-N 1 2 367.454 0.860 20 5 FCBDLO C[N@H+](C[C@H]1COCCO1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853556647 1209598722 /nfs/dbraw/zinc/59/87/22/1209598722.db2.gz AYEGKWGNXLGRJX-AWEZNQCLSA-N 1 2 364.358 0.668 20 5 FCBDLO C[N@@H+](C[C@H]1COCCO1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853556647 1209598727 /nfs/dbraw/zinc/59/87/27/1209598727.db2.gz AYEGKWGNXLGRJX-AWEZNQCLSA-N 1 2 364.358 0.668 20 5 FCBDLO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCOC2 ZINC001691726317 1210850521 /nfs/dbraw/zinc/85/05/21/1210850521.db2.gz MPPRUXSTDLQGLY-CHWSQXEVSA-N 1 2 366.422 0.190 20 5 FCBDLO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nnc2n1CCOC2 ZINC001691726317 1210850523 /nfs/dbraw/zinc/85/05/23/1210850523.db2.gz MPPRUXSTDLQGLY-CHWSQXEVSA-N 1 2 366.422 0.190 20 5 FCBDLO CC(C)(C(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1c[nH+]c[nH]1 ZINC000949178230 1212313621 /nfs/dbraw/zinc/31/36/21/1212313621.db2.gz WTFXZAZEMPCMST-CHWSQXEVSA-N 1 2 363.418 0.707 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000779560572 1212721864 /nfs/dbraw/zinc/72/18/64/1212721864.db2.gz DWDIGVQYPXVFRN-ZDUSSCGKSA-N 1 2 361.358 0.951 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019015443 1214180744 /nfs/dbraw/zinc/18/07/44/1214180744.db2.gz XESNUYBMOQEHBO-ZIAGYGMSSA-N 1 2 361.402 0.079 20 5 FCBDLO Cn1nnnc1C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039486040 1214379076 /nfs/dbraw/zinc/37/90/76/1214379076.db2.gz YVUJLCLDDNQYLF-ZIAGYGMSSA-N 1 2 363.422 0.078 20 5 FCBDLO Cn1nnnc1C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001039486040 1214379087 /nfs/dbraw/zinc/37/90/87/1214379087.db2.gz YVUJLCLDDNQYLF-ZIAGYGMSSA-N 1 2 363.422 0.078 20 5 FCBDLO O=C(Cn1cc[nH+]c1)N1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC000965869795 1215138425 /nfs/dbraw/zinc/13/84/25/1215138425.db2.gz XYCAPZRYGZYWGS-HZPDHXFCSA-N 1 2 369.381 0.707 20 5 FCBDLO CC(C)n1ncnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050517074 1216328340 /nfs/dbraw/zinc/32/83/40/1216328340.db2.gz OQFAVFSBEZQJEC-ZIAGYGMSSA-N 1 2 362.434 0.949 20 5 FCBDLO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)Nc1ccon1 ZINC001050519972 1216329417 /nfs/dbraw/zinc/32/94/17/1216329417.db2.gz NATNEEJGRAZMEG-VXGBXAGGSA-N 1 2 363.374 0.203 20 5 FCBDLO CCC1(NC(=O)Cc2c[nH+]cn2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069368387 1216785711 /nfs/dbraw/zinc/78/57/11/1216785711.db2.gz UTTXHXLKEJVYCU-ZIAGYGMSSA-N 1 2 363.418 0.515 20 5 FCBDLO CC(C)(C)n1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)nn1 ZINC001048814661 1218318607 /nfs/dbraw/zinc/31/86/07/1218318607.db2.gz WNOASXXXBOYFIA-AYRXBEOTSA-N 1 2 362.434 0.589 20 5 FCBDLO CC(C)(C)n1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)nn1 ZINC001048814661 1218318612 /nfs/dbraw/zinc/31/86/12/1218318612.db2.gz WNOASXXXBOYFIA-AYRXBEOTSA-N 1 2 362.434 0.589 20 5 FCBDLO CC(C)OCCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258541 1225868114 /nfs/dbraw/zinc/86/81/14/1225868114.db2.gz SCEZYSBQXSKBRZ-HUUCEWRRSA-N 1 2 370.450 0.164 20 5 FCBDLO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)NC1CCCCC1 ZINC001072726838 1219621017 /nfs/dbraw/zinc/62/10/17/1219621017.db2.gz UCLKWQSGMSTIDY-HUUCEWRRSA-N 1 2 364.446 0.635 20 5 FCBDLO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)NC1CCCCC1 ZINC001072726838 1219621019 /nfs/dbraw/zinc/62/10/19/1219621019.db2.gz UCLKWQSGMSTIDY-HUUCEWRRSA-N 1 2 364.446 0.635 20 5 FCBDLO CC1(NC(=O)CCCn2cc[nH+]c2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073014004 1219631497 /nfs/dbraw/zinc/63/14/97/1219631497.db2.gz DEQMOIDKSYEEJM-ZIAGYGMSSA-N 1 2 363.418 0.826 20 5 FCBDLO CCC[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001074109716 1219683711 /nfs/dbraw/zinc/68/37/11/1219683711.db2.gz ILTHYQFXNBQQOQ-ZIAGYGMSSA-N 1 2 362.434 0.875 20 5 FCBDLO CCC[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001074109716 1219683714 /nfs/dbraw/zinc/68/37/14/1219683714.db2.gz ILTHYQFXNBQQOQ-ZIAGYGMSSA-N 1 2 362.434 0.875 20 5 FCBDLO CCn1ccc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001098365967 1219767151 /nfs/dbraw/zinc/76/71/51/1219767151.db2.gz SCSPROLECXSPGA-HZPDHXFCSA-N 1 2 365.434 0.354 20 5 FCBDLO CCn1ccc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001098365967 1219767157 /nfs/dbraw/zinc/76/71/57/1219767157.db2.gz SCSPROLECXSPGA-HZPDHXFCSA-N 1 2 365.434 0.354 20 5 FCBDLO Nc1ccc(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1[N+](=O)[O-] ZINC001118201513 1221732490 /nfs/dbraw/zinc/73/24/90/1221732490.db2.gz JJJCEGAPXANTFX-UHFFFAOYSA-N 1 2 371.401 0.892 20 5 FCBDLO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CN(C)CC[N@@H+]1C ZINC001120959482 1222133974 /nfs/dbraw/zinc/13/39/74/1222133974.db2.gz JPQLKUYSIIHWAA-MEDUHNTESA-N 1 2 362.434 0.831 20 5 FCBDLO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CN(C)CC[N@H+]1C ZINC001120959482 1222133978 /nfs/dbraw/zinc/13/39/78/1222133978.db2.gz JPQLKUYSIIHWAA-MEDUHNTESA-N 1 2 362.434 0.831 20 5 FCBDLO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)N1CCNC1=O ZINC000838102432 1222670653 /nfs/dbraw/zinc/67/06/53/1222670653.db2.gz REOZYWJZWQGYKZ-SNVBAGLBSA-N 1 2 373.325 0.878 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(C(=O)OC)ccc2[N+](=O)[O-])cn1 ZINC001163416136 1223229795 /nfs/dbraw/zinc/22/97/95/1223229795.db2.gz QYFRZPHPRFXFLF-JTQLQIEISA-N 1 2 363.330 0.395 20 5 FCBDLO O=C(CCn1cc[nH+]c1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944987882 1247704216 /nfs/dbraw/zinc/70/42/16/1247704216.db2.gz LAGOHODBNOJMKU-ZIAGYGMSSA-N 1 2 361.402 0.389 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC001005375645 1253538687 /nfs/dbraw/zinc/53/86/87/1253538687.db2.gz NROSGZQFNGWCTI-HZPDHXFCSA-N 1 2 362.434 0.776 20 5 FCBDLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N(C1CC1)C1CCCC1 ZINC001031661147 1253880562 /nfs/dbraw/zinc/88/05/62/1253880562.db2.gz OPIQXLXKYPXPDD-HZPDHXFCSA-N 1 2 364.446 0.633 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060723476 1254131362 /nfs/dbraw/zinc/13/13/62/1254131362.db2.gz IDYXCXKAFGBVMQ-AAVRWANBSA-N 1 2 363.418 0.799 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)no1 ZINC001063539303 1254357822 /nfs/dbraw/zinc/35/78/22/1254357822.db2.gz PEOPCIHQXJDILC-DGCLKSJQSA-N 1 2 365.390 0.170 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC001256497398 1259953259 /nfs/dbraw/zinc/95/32/59/1259953259.db2.gz XBHDQZGBZQWTSP-ZDUSSCGKSA-N 1 2 364.402 0.738 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC001256497398 1259953263 /nfs/dbraw/zinc/95/32/63/1259953263.db2.gz XBHDQZGBZQWTSP-ZDUSSCGKSA-N 1 2 364.402 0.738 20 5 FCBDLO NC(=O)c1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001311244026 1263252839 /nfs/dbraw/zinc/25/28/39/1263252839.db2.gz SWXVPAQZVCHESL-LBPRGKRZSA-N 1 2 363.374 0.632 20 5 FCBDLO COc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC001323464042 1264435707 /nfs/dbraw/zinc/43/57/07/1264435707.db2.gz PXFSKDZWDQJZDN-LBPRGKRZSA-N 1 2 373.369 0.547 20 5 FCBDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589746380 1282971524 /nfs/dbraw/zinc/97/15/24/1282971524.db2.gz OPVQEKBYQROPHU-ZDUSSCGKSA-N 1 2 350.379 0.993 20 5 FCBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589746380 1282971533 /nfs/dbraw/zinc/97/15/33/1282971533.db2.gz OPVQEKBYQROPHU-ZDUSSCGKSA-N 1 2 350.379 0.993 20 5 FCBDLO CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC[NH2+]1 ZINC001590105636 1283218941 /nfs/dbraw/zinc/21/89/41/1283218941.db2.gz FJNYJIYYYPNJRU-UHFFFAOYSA-N 1 2 367.391 0.147 20 5 FCBDLO CN(CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC001604771804 1287773476 /nfs/dbraw/zinc/77/34/76/1287773476.db2.gz WVLMYROHNITWEN-UHFFFAOYSA-N 1 2 371.361 0.611 20 5 FCBDLO CCCn1ncnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001699883769 1289571308 /nfs/dbraw/zinc/57/13/08/1289571308.db2.gz YPCSSAKXABHFGQ-CHWSQXEVSA-N 1 2 366.422 0.108 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746474768 836186478 /nfs/dbraw/zinc/18/64/78/836186478.db2.gz OYSRLWCMNLHAGN-CANCMXDXSA-N 1 2 368.459 0.918 20 5 FCBDLO Cc1cnc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001098365817 843910862 /nfs/dbraw/zinc/91/08/62/843910862.db2.gz QUUNITCZOALUJU-ZIAGYGMSSA-N 1 2 368.459 0.902 20 5 FCBDLO 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O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001169019818 850602189 /nfs/dbraw/zinc/60/21/89/850602189.db2.gz JTUUHXCENDEHBP-UONOGXRCSA-N 1 2 350.423 0.371 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)N2CCOCC2)CC1 ZINC001262013102 858757606 /nfs/dbraw/zinc/75/76/06/858757606.db2.gz RPTTWCDLMWQCIQ-UHFFFAOYSA-N 1 2 352.395 0.170 20 5 FCBDLO CCn1ncnc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001308259253 866710451 /nfs/dbraw/zinc/71/04/51/866710451.db2.gz PCFFVPVLCDYPMT-UHFFFAOYSA-N 1 2 354.392 0.274 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318443808 867667156 /nfs/dbraw/zinc/66/71/56/867667156.db2.gz JYTLGLVNXIKPDE-LBPRGKRZSA-N 1 2 350.375 0.430 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318443808 867667162 /nfs/dbraw/zinc/66/71/62/867667162.db2.gz JYTLGLVNXIKPDE-LBPRGKRZSA-N 1 2 350.375 0.430 20 5 FCBDLO COC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-] ZINC001325941852 870106070 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353.375 0.171 20 5 FCBDLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000265452705 210138606 /nfs/dbraw/zinc/13/86/06/210138606.db2.gz LAKADOJLJMGXBW-ZBFHGGJFSA-N 1 2 353.375 0.171 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265344263 210102868 /nfs/dbraw/zinc/10/28/68/210102868.db2.gz ZIWVXPOWVTXWRP-GFCCVEGCSA-N 1 2 368.415 0.107 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265344263 210102871 /nfs/dbraw/zinc/10/28/71/210102871.db2.gz ZIWVXPOWVTXWRP-GFCCVEGCSA-N 1 2 368.415 0.107 20 5 FCBDLO CCOC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264970999 210027346 /nfs/dbraw/zinc/02/73/46/210027346.db2.gz ILZGGCAKVWGFQV-CYBMUJFWSA-N 1 2 373.431 0.299 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000264874549 210005990 /nfs/dbraw/zinc/00/59/90/210005990.db2.gz SNLJULPGYSTUQI-UHFFFAOYSA-N 1 2 361.445 0.931 20 5 FCBDLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332320090 215130244 /nfs/dbraw/zinc/13/02/44/215130244.db2.gz VQTVEVPGOQPXJJ-UHFFFAOYSA-N 1 2 362.386 0.681 20 5 FCBDLO CN(C)C(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411955944 237119393 /nfs/dbraw/zinc/11/93/93/237119393.db2.gz QRLXQKNTOCACKD-LBPRGKRZSA-N 1 2 355.416 0.779 20 5 FCBDLO CN(C)C(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411955944 237119408 /nfs/dbraw/zinc/11/94/08/237119408.db2.gz QRLXQKNTOCACKD-LBPRGKRZSA-N 1 2 355.416 0.779 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000367733357 216155523 /nfs/dbraw/zinc/15/55/23/216155523.db2.gz HOCJPUKYPCACKW-DGCLKSJQSA-N 1 2 370.431 0.542 20 5 FCBDLO O=C1CC2(CN1)CC[NH+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000368197872 216214858 /nfs/dbraw/zinc/21/48/58/216214858.db2.gz JAAPMHFTSNICOG-UHFFFAOYSA-N 1 2 367.427 0.971 20 5 FCBDLO 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Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000246080696 209378196 /nfs/dbraw/zinc/37/81/96/209378196.db2.gz GSYPHXWFBKDJOY-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO O=C1C[C@@H]([N@@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368881639 216311337 /nfs/dbraw/zinc/31/13/37/216311337.db2.gz GOVLPISRLOELOB-UONOGXRCSA-N 1 2 356.342 0.765 20 5 FCBDLO O=C1C[C@@H]([N@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368881639 216311341 /nfs/dbraw/zinc/31/13/41/216311341.db2.gz GOVLPISRLOELOB-UONOGXRCSA-N 1 2 356.342 0.765 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000185848305 209181933 /nfs/dbraw/zinc/18/19/33/209181933.db2.gz NZHJCIHFMVNCPY-CYBMUJFWSA-N 1 2 355.416 0.938 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275927105 212121767 /nfs/dbraw/zinc/12/17/67/212121767.db2.gz VEPDQOUANGDPIT-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000275927105 212121771 /nfs/dbraw/zinc/12/17/71/212121771.db2.gz VEPDQOUANGDPIT-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275899727 212115001 /nfs/dbraw/zinc/11/50/01/212115001.db2.gz PILXRFVGBRYKPI-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275899727 212115005 /nfs/dbraw/zinc/11/50/05/212115005.db2.gz PILXRFVGBRYKPI-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000275478068 212033684 /nfs/dbraw/zinc/03/36/84/212033684.db2.gz NBGNRKGDSYMELP-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO COc1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000275478068 212033688 /nfs/dbraw/zinc/03/36/88/212033688.db2.gz NBGNRKGDSYMELP-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000374800801 217175500 /nfs/dbraw/zinc/17/55/00/217175500.db2.gz QBQSWMGLNUPUKZ-OCCSQVGLSA-N 1 2 373.406 0.954 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000182407737 209132087 /nfs/dbraw/zinc/13/20/87/209132087.db2.gz BUVIGLJOLGRYPR-ZDUSSCGKSA-N 1 2 357.432 0.980 20 5 FCBDLO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000181911029 209124869 /nfs/dbraw/zinc/12/48/69/209124869.db2.gz AYUWTIIZOMWUCU-ZIAGYGMSSA-N 1 2 359.386 0.931 20 5 FCBDLO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000181911029 209124873 /nfs/dbraw/zinc/12/48/73/209124873.db2.gz AYUWTIIZOMWUCU-ZIAGYGMSSA-N 1 2 359.386 0.931 20 5 FCBDLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)N(C)C ZINC000440503015 248192179 /nfs/dbraw/zinc/19/21/79/248192179.db2.gz SZHTUROPHLYVSF-RYUDHWBXSA-N 1 2 364.406 0.069 20 5 FCBDLO C[C@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)N(C)C ZINC000440503015 248192181 /nfs/dbraw/zinc/19/21/81/248192181.db2.gz SZHTUROPHLYVSF-RYUDHWBXSA-N 1 2 364.406 0.069 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443236605 248313327 /nfs/dbraw/zinc/31/33/27/248313327.db2.gz GODDYFYEKLNPSO-HNNXBMFYSA-N 1 2 373.431 0.265 20 5 FCBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000446456128 248389888 /nfs/dbraw/zinc/38/98/88/248389888.db2.gz HQFXXVYGUVFGCC-ZDUSSCGKSA-N 1 2 363.418 0.702 20 5 FCBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451886799 248533204 /nfs/dbraw/zinc/53/32/04/248533204.db2.gz DODXMOBUXABHTQ-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451886799 248533205 /nfs/dbraw/zinc/53/32/05/248533205.db2.gz DODXMOBUXABHTQ-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000271073068 211327554 /nfs/dbraw/zinc/32/75/54/211327554.db2.gz YUYJLFAOPAQPSJ-UHFFFAOYSA-N 1 2 372.385 0.332 20 5 FCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000271073068 211327556 /nfs/dbraw/zinc/32/75/56/211327556.db2.gz YUYJLFAOPAQPSJ-UHFFFAOYSA-N 1 2 372.385 0.332 20 5 FCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271045373 211322744 /nfs/dbraw/zinc/32/27/44/211322744.db2.gz HWHYWEZOITUKQC-CQSZACIVSA-N 1 2 356.448 0.303 20 5 FCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000271045373 211322747 /nfs/dbraw/zinc/32/27/47/211322747.db2.gz HWHYWEZOITUKQC-CQSZACIVSA-N 1 2 356.448 0.303 20 5 FCBDLO COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270462815 211205205 /nfs/dbraw/zinc/20/52/05/211205205.db2.gz APCXDAGZVASKLD-CABCVRRESA-N 1 2 358.416 0.764 20 5 FCBDLO COCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270462815 211205208 /nfs/dbraw/zinc/20/52/08/211205208.db2.gz APCXDAGZVASKLD-CABCVRRESA-N 1 2 358.416 0.764 20 5 FCBDLO NC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000472281337 250143280 /nfs/dbraw/zinc/14/32/80/250143280.db2.gz BZEORALMSIMBME-SNVBAGLBSA-N 1 2 364.358 0.849 20 5 FCBDLO NC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000472281337 250143283 /nfs/dbraw/zinc/14/32/83/250143283.db2.gz BZEORALMSIMBME-SNVBAGLBSA-N 1 2 364.358 0.849 20 5 FCBDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])nn2C)nc[nH+]1 ZINC000481779137 250358836 /nfs/dbraw/zinc/35/88/36/250358836.db2.gz MGFSOENMXKCXKT-JTQLQIEISA-N 1 2 360.378 0.559 20 5 FCBDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])nn2C)[nH+]cn1 ZINC000481779137 250358838 /nfs/dbraw/zinc/35/88/38/250358838.db2.gz MGFSOENMXKCXKT-JTQLQIEISA-N 1 2 360.378 0.559 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109087385 208254722 /nfs/dbraw/zinc/25/47/22/208254722.db2.gz RADNJXRRGWMDPC-GFCCVEGCSA-N 1 2 360.374 0.626 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000117106790 208339214 /nfs/dbraw/zinc/33/92/14/208339214.db2.gz GOZQPEMTZOIRMU-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000126119805 208470025 /nfs/dbraw/zinc/47/00/25/208470025.db2.gz VTOUSHVEWGUWBL-UHFFFAOYSA-N 1 2 355.358 0.924 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266361978 210326305 /nfs/dbraw/zinc/32/63/05/210326305.db2.gz PUZGJPDODLSZLD-CYBMUJFWSA-N 1 2 350.375 0.080 20 5 FCBDLO CC[C@H](CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000266175032 210296836 /nfs/dbraw/zinc/29/68/36/210296836.db2.gz ACARDYGQTMCGOW-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000299734224 488871165 /nfs/dbraw/zinc/87/11/65/488871165.db2.gz ZLYMEYWNINIAFN-UHFFFAOYSA-N 1 2 364.402 0.941 20 5 FCBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000301107946 488876468 /nfs/dbraw/zinc/87/64/68/488876468.db2.gz MYJALTXDEQPOND-UHFFFAOYSA-N 1 2 361.402 0.355 20 5 FCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000278559489 488882052 /nfs/dbraw/zinc/88/20/52/488882052.db2.gz ARPNERUJOUGRHO-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000278559489 488882055 /nfs/dbraw/zinc/88/20/55/488882055.db2.gz ARPNERUJOUGRHO-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556633 487668724 /nfs/dbraw/zinc/66/87/24/487668724.db2.gz GKSGSCMRQYOBHO-LBPRGKRZSA-N 1 2 350.375 0.395 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046036979 487964481 /nfs/dbraw/zinc/96/44/81/487964481.db2.gz CTPUMSNPCGKXRA-UHFFFAOYSA-N 1 2 366.418 0.354 20 5 FCBDLO COc1ccc([C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2[nH+]ccn2C)cc1 ZINC000048223632 488063779 /nfs/dbraw/zinc/06/37/79/488063779.db2.gz MUUPQQIIUPCFRS-AWEZNQCLSA-N 1 2 371.357 0.834 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000063760195 488308150 /nfs/dbraw/zinc/30/81/50/488308150.db2.gz RIDRPUCJKSARTQ-UHFFFAOYSA-N 1 2 351.319 0.136 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000063760195 488308151 /nfs/dbraw/zinc/30/81/51/488308151.db2.gz RIDRPUCJKSARTQ-UHFFFAOYSA-N 1 2 351.319 0.136 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000065721956 488320735 /nfs/dbraw/zinc/32/07/35/488320735.db2.gz RLPAWKSWYNZNKV-UHFFFAOYSA-N 1 2 360.374 0.648 20 5 FCBDLO O=C(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCOCC1 ZINC000066452747 488329573 /nfs/dbraw/zinc/32/95/73/488329573.db2.gz RRUWXDZNPCEFBS-UHFFFAOYSA-N 1 2 370.793 0.426 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000069139940 488371205 /nfs/dbraw/zinc/37/12/05/488371205.db2.gz AMKRDVVXACQZKC-CYBMUJFWSA-N 1 2 362.386 0.714 20 5 FCBDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000070948444 488376122 /nfs/dbraw/zinc/37/61/22/488376122.db2.gz SAZDILXVBOSCPZ-UHFFFAOYSA-N 1 2 365.415 0.835 20 5 FCBDLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000075887420 488400071 /nfs/dbraw/zinc/40/00/71/488400071.db2.gz DUOCSCCMBSOTIK-PWSUYJOCSA-N 1 2 354.367 0.765 20 5 FCBDLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000075887420 488400073 /nfs/dbraw/zinc/40/00/73/488400073.db2.gz DUOCSCCMBSOTIK-PWSUYJOCSA-N 1 2 354.367 0.765 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249239520 488507987 /nfs/dbraw/zinc/50/79/87/488507987.db2.gz WLTQRDCRVKSFJW-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249239520 488507989 /nfs/dbraw/zinc/50/79/89/488507989.db2.gz WLTQRDCRVKSFJW-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000271717557 488541205 /nfs/dbraw/zinc/54/12/05/488541205.db2.gz KISJQZBYRZZBSK-LLVKDONJSA-N 1 2 361.395 0.811 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262285707 488561742 /nfs/dbraw/zinc/56/17/42/488561742.db2.gz XVCQYRHWWCNMIX-CYBMUJFWSA-N 1 2 362.386 0.584 20 5 FCBDLO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000125355861 488600279 /nfs/dbraw/zinc/60/02/79/488600279.db2.gz HWVMXCWYHBUROH-ZDUSSCGKSA-N 1 2 363.418 0.077 20 5 FCBDLO CC(C)OCC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272878690 488613992 /nfs/dbraw/zinc/61/39/92/488613992.db2.gz GHLVECUEGDPGJP-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272936806 488618463 /nfs/dbraw/zinc/61/84/63/488618463.db2.gz DAGWIAARZPFABT-MRXNPFEDSA-N 1 2 362.386 0.878 20 5 FCBDLO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000263814228 488628982 /nfs/dbraw/zinc/62/89/82/488628982.db2.gz XUQIPRBGJBWBRS-UHFFFAOYSA-N 1 2 359.404 0.306 20 5 FCBDLO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000263814228 488628984 /nfs/dbraw/zinc/62/89/84/488628984.db2.gz XUQIPRBGJBWBRS-UHFFFAOYSA-N 1 2 359.404 0.306 20 5 FCBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000130412944 488637428 /nfs/dbraw/zinc/63/74/28/488637428.db2.gz NLRNKIQAFCBFEA-CQSZACIVSA-N 1 2 350.423 0.420 20 5 FCBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000130412944 488637431 /nfs/dbraw/zinc/63/74/31/488637431.db2.gz NLRNKIQAFCBFEA-CQSZACIVSA-N 1 2 350.423 0.420 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264022031 488643265 /nfs/dbraw/zinc/64/32/65/488643265.db2.gz KXGULDODHKPVSW-UHFFFAOYSA-N 1 2 350.375 0.760 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264022031 488643266 /nfs/dbraw/zinc/64/32/66/488643266.db2.gz KXGULDODHKPVSW-UHFFFAOYSA-N 1 2 350.375 0.760 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](O)C3)c([N+](=O)[O-])c2)CC1 ZINC000264169141 488651860 /nfs/dbraw/zinc/65/18/60/488651860.db2.gz VBMJBGCNMDUYOS-GFCCVEGCSA-N 1 2 370.431 0.102 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273591376 488660630 /nfs/dbraw/zinc/66/06/30/488660630.db2.gz JACJZQNDBPKIIG-AWEZNQCLSA-N 1 2 373.431 0.050 20 5 FCBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000264346810 488665638 /nfs/dbraw/zinc/66/56/38/488665638.db2.gz ZBHPSNKJHBQIQL-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274246620 488693371 /nfs/dbraw/zinc/69/33/71/488693371.db2.gz YVPJIGBXSUZUHL-ZFWWWQNUSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274246620 488693373 /nfs/dbraw/zinc/69/33/73/488693373.db2.gz YVPJIGBXSUZUHL-ZFWWWQNUSA-N 1 2 358.416 0.844 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000264642263 488693748 /nfs/dbraw/zinc/69/37/48/488693748.db2.gz YCJWGLHQTVLCME-GJZGRUSLSA-N 1 2 370.427 0.986 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000264642263 488693750 /nfs/dbraw/zinc/69/37/50/488693750.db2.gz YCJWGLHQTVLCME-GJZGRUSLSA-N 1 2 370.427 0.986 20 5 FCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264752271 488707164 /nfs/dbraw/zinc/70/71/64/488707164.db2.gz MWOAKRDNIGYDBQ-SNVBAGLBSA-N 1 2 362.839 0.772 20 5 FCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264752271 488707167 /nfs/dbraw/zinc/70/71/67/488707167.db2.gz MWOAKRDNIGYDBQ-SNVBAGLBSA-N 1 2 362.839 0.772 20 5 FCBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000264782926 488710899 /nfs/dbraw/zinc/71/08/99/488710899.db2.gz VDOYQDIVWFXONW-UHFFFAOYSA-N 1 2 373.431 0.946 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791397 488712207 /nfs/dbraw/zinc/71/22/07/488712207.db2.gz XFRYCCJAKMMPRU-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791397 488712209 /nfs/dbraw/zinc/71/22/09/488712209.db2.gz XFRYCCJAKMMPRU-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000266940022 488746227 /nfs/dbraw/zinc/74/62/27/488746227.db2.gz PNMNEQDWKCNCRG-JTQLQIEISA-N 1 2 353.379 0.346 20 5 FCBDLO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nncn1C ZINC000275195233 488771505 /nfs/dbraw/zinc/77/15/05/488771505.db2.gz PNUXBUVOZWRGAM-CYBMUJFWSA-N 1 2 373.417 0.723 20 5 FCBDLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000554733049 491221934 /nfs/dbraw/zinc/22/19/34/491221934.db2.gz YRHJYIQPPSBGQG-ZDUSSCGKSA-N 1 2 352.391 0.634 20 5 FCBDLO COc1ccc(OCCN2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000267440517 488786630 /nfs/dbraw/zinc/78/66/30/488786630.db2.gz HZIJEHRCRSNTMT-UHFFFAOYSA-N 1 2 366.418 0.864 20 5 FCBDLO COc1ccc(OCC[NH+]2CCN(C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000267440517 488786631 /nfs/dbraw/zinc/78/66/31/488786631.db2.gz HZIJEHRCRSNTMT-UHFFFAOYSA-N 1 2 366.418 0.864 20 5 FCBDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159713249 488786952 /nfs/dbraw/zinc/78/69/52/488786952.db2.gz DGYHNDMOJBKRCR-CQSZACIVSA-N 1 2 365.434 0.289 20 5 FCBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159713249 488786953 /nfs/dbraw/zinc/78/69/53/488786953.db2.gz DGYHNDMOJBKRCR-CQSZACIVSA-N 1 2 365.434 0.289 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000267632591 488807706 /nfs/dbraw/zinc/80/77/06/488807706.db2.gz ZCJJEVHRGUOCPP-UHFFFAOYSA-N 1 2 350.375 0.632 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000181575695 488863554 /nfs/dbraw/zinc/86/35/54/488863554.db2.gz IJNFVQXQLBWRRX-CQSZACIVSA-N 1 2 359.386 0.947 20 5 FCBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000554791261 491225344 /nfs/dbraw/zinc/22/53/44/491225344.db2.gz IIVGUTUKDUFPEU-UHFFFAOYSA-N 1 2 352.372 0.704 20 5 FCBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000364870773 489012051 /nfs/dbraw/zinc/01/20/51/489012051.db2.gz DSXWEIMSBCDQOM-UHFFFAOYSA-N 1 2 350.375 0.769 20 5 FCBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000364870773 489012054 /nfs/dbraw/zinc/01/20/54/489012054.db2.gz DSXWEIMSBCDQOM-UHFFFAOYSA-N 1 2 350.375 0.769 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000570320353 491233238 /nfs/dbraw/zinc/23/32/38/491233238.db2.gz VQSZMQUYHIGKKQ-LLVKDONJSA-N 1 2 353.379 0.252 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000570320353 491233241 /nfs/dbraw/zinc/23/32/41/491233241.db2.gz VQSZMQUYHIGKKQ-LLVKDONJSA-N 1 2 353.379 0.252 20 5 FCBDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000365844923 489118996 /nfs/dbraw/zinc/11/89/96/489118996.db2.gz UVKDFRNVZRJNKZ-MRXNPFEDSA-N 1 2 369.385 0.921 20 5 FCBDLO COc1cc(C[NH2+][C@@]2(C(N)=O)CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563357938 491238987 /nfs/dbraw/zinc/23/89/87/491238987.db2.gz METLGNRYULWJIB-AWEZNQCLSA-N 1 2 361.301 0.939 20 5 FCBDLO C[C@H](CO)N1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966765 489223228 /nfs/dbraw/zinc/22/32/28/489223228.db2.gz RCNFDQUYGOGEKS-CABCVRRESA-N 1 2 353.419 0.723 20 5 FCBDLO C[C@H](CO)N1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966765 489223232 /nfs/dbraw/zinc/22/32/32/489223232.db2.gz RCNFDQUYGOGEKS-CABCVRRESA-N 1 2 353.419 0.723 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286050934 489350481 /nfs/dbraw/zinc/35/04/81/489350481.db2.gz HTUBAIDRBOEROD-UHFFFAOYSA-N 1 2 365.390 0.425 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286050934 489350483 /nfs/dbraw/zinc/35/04/83/489350483.db2.gz HTUBAIDRBOEROD-UHFFFAOYSA-N 1 2 365.390 0.425 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000361742910 489364732 /nfs/dbraw/zinc/36/47/32/489364732.db2.gz HONDGRUYEBMGDB-SNVBAGLBSA-N 1 2 356.404 0.675 20 5 FCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000287120451 489462675 /nfs/dbraw/zinc/46/26/75/489462675.db2.gz QKGBERGVIWGNDB-OLZOCXBDSA-N 1 2 352.395 0.296 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371690841 489498684 /nfs/dbraw/zinc/49/86/84/489498684.db2.gz ZNZDABIOZKSQJO-DYEKYZERSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371690841 489498687 /nfs/dbraw/zinc/49/86/87/489498687.db2.gz ZNZDABIOZKSQJO-DYEKYZERSA-N 1 2 354.359 0.597 20 5 FCBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371934039 489526524 /nfs/dbraw/zinc/52/65/24/489526524.db2.gz VQVKNJVWMSGYSU-AWEZNQCLSA-N 1 2 355.416 0.831 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@H+]1CCO ZINC000451885405 489528079 /nfs/dbraw/zinc/52/80/79/489528079.db2.gz BCTWVWMLADWXGC-PHIMTYICSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)[N@@H+]1CCO ZINC000451885405 489528082 /nfs/dbraw/zinc/52/80/82/489528082.db2.gz BCTWVWMLADWXGC-PHIMTYICSA-N 1 2 361.395 0.810 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428375617 489645857 /nfs/dbraw/zinc/64/58/57/489645857.db2.gz QUWSWPSZOKWVLS-LLVKDONJSA-N 1 2 371.353 0.648 20 5 FCBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570916188 491273278 /nfs/dbraw/zinc/27/32/78/491273278.db2.gz HZTMUGNWYHUTJY-ZDUSSCGKSA-N 1 2 369.381 0.807 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000376726209 489785856 /nfs/dbraw/zinc/78/58/56/489785856.db2.gz PPQDWYHHBPNQNE-JTQLQIEISA-N 1 2 356.404 0.675 20 5 FCBDLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000376911177 489815927 /nfs/dbraw/zinc/81/59/27/489815927.db2.gz OGSYERNZUCGELA-CQSZACIVSA-N 1 2 362.386 0.855 20 5 FCBDLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000376911177 489815931 /nfs/dbraw/zinc/81/59/31/489815931.db2.gz OGSYERNZUCGELA-CQSZACIVSA-N 1 2 362.386 0.855 20 5 FCBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000431922368 489823086 /nfs/dbraw/zinc/82/30/86/489823086.db2.gz JGWMJONCPAFWLA-UHFFFAOYSA-N 1 2 373.369 0.935 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475697265 489843328 /nfs/dbraw/zinc/84/33/28/489843328.db2.gz SYAYUSLTTXVKPH-CYBMUJFWSA-N 1 2 363.370 0.953 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475697265 489843329 /nfs/dbraw/zinc/84/33/29/489843329.db2.gz SYAYUSLTTXVKPH-CYBMUJFWSA-N 1 2 363.370 0.953 20 5 FCBDLO O=C(COc1cccc([N+](=O)[O-])c1)N(CCO)CC[NH+]1CCOCC1 ZINC000478014265 490000847 /nfs/dbraw/zinc/00/08/47/490000847.db2.gz JUDMHXWXYCYKGT-UHFFFAOYSA-N 1 2 353.375 0.127 20 5 FCBDLO O=C(N[C@H]1CCc2nnnn2CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000422064603 490135372 /nfs/dbraw/zinc/13/53/72/490135372.db2.gz JXWLCCVWGGFEJW-LBPRGKRZSA-N 1 2 368.357 0.902 20 5 FCBDLO Cc1[nH+]c[nH]c1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000480022825 490150359 /nfs/dbraw/zinc/15/03/59/490150359.db2.gz VTWFGDITDLLLRY-UHFFFAOYSA-N 1 2 367.387 0.611 20 5 FCBDLO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533423797 490232006 /nfs/dbraw/zinc/23/20/06/490232006.db2.gz UUGGMEHSXXVJFT-SNVBAGLBSA-N 1 2 364.358 0.720 20 5 FCBDLO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533423797 490232010 /nfs/dbraw/zinc/23/20/10/490232010.db2.gz UUGGMEHSXXVJFT-SNVBAGLBSA-N 1 2 364.358 0.720 20 5 FCBDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000521447517 490263282 /nfs/dbraw/zinc/26/32/82/490263282.db2.gz 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CC(C)(NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000571571798 491316538 /nfs/dbraw/zinc/31/65/38/491316538.db2.gz WZLYDBMQGOLPPN-UHFFFAOYSA-N 1 2 367.387 0.648 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000534141158 490324159 /nfs/dbraw/zinc/32/41/59/490324159.db2.gz BJTQOKCRADHSOU-UHFFFAOYSA-N 1 2 356.404 0.595 20 5 FCBDLO CC(C)C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000547727936 490347998 /nfs/dbraw/zinc/34/79/98/490347998.db2.gz MEWDHLQUZUKILD-LBPRGKRZSA-N 1 2 351.407 1.049 20 5 FCBDLO COC(=O)Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000449028555 490398184 /nfs/dbraw/zinc/39/81/84/490398184.db2.gz MDGCZDPEYDRBQK-NSHDSACASA-N 1 2 361.362 0.441 20 5 FCBDLO COC(=O)Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000449028555 490398194 /nfs/dbraw/zinc/39/81/94/490398194.db2.gz MDGCZDPEYDRBQK-NSHDSACASA-N 1 2 361.362 0.441 20 5 FCBDLO Cc1c(C(=O)NCCn2cc[nH+]c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468468944 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O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000840025179 1189812650 /nfs/dbraw/zinc/81/26/50/1189812650.db2.gz PKOBLSIIYNUTID-IIYDPXPESA-N 1 2 360.370 0.842 20 5 FCBDLO COCCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001105707155 1195778670 /nfs/dbraw/zinc/77/86/70/1195778670.db2.gz OVHBWGZTSLYCGJ-HZPDHXFCSA-N 1 2 371.434 0.006 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000805476900 1201546240 /nfs/dbraw/zinc/54/62/40/1201546240.db2.gz CHTQNVCRDFQXKA-LSDHHAIUSA-N 1 2 363.370 0.964 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000805476900 1201546243 /nfs/dbraw/zinc/54/62/43/1201546243.db2.gz CHTQNVCRDFQXKA-LSDHHAIUSA-N 1 2 363.370 0.964 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779558111 1212714494 /nfs/dbraw/zinc/71/44/94/1212714494.db2.gz MOCBWKVNTGBRDI-GFCCVEGCSA-N 1 2 363.286 0.671 20 5 FCBDLO 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IGZQPRQVPWRDTI-LBPRGKRZSA-N 1 2 365.390 0.498 20 5 FCBDLO Cc1ccc(S(=O)(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000443236502 248313882 /nfs/dbraw/zinc/31/38/82/248313882.db2.gz GGVFPWBXWAGJIS-OAHLLOKOSA-N 1 2 373.431 0.265 20 5 FCBDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271349835 211385249 /nfs/dbraw/zinc/38/52/49/211385249.db2.gz HBFMFEWETMWXTG-LLVKDONJSA-N 1 2 351.359 0.922 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271301309 211374720 /nfs/dbraw/zinc/37/47/20/211374720.db2.gz FLOGFTNHMOLHKJ-CQSZACIVSA-N 1 2 370.431 0.571 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000271301309 211374721 /nfs/dbraw/zinc/37/47/21/211374721.db2.gz FLOGFTNHMOLHKJ-CQSZACIVSA-N 1 2 370.431 0.571 20 5 FCBDLO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270846739 211281751 /nfs/dbraw/zinc/28/17/51/211281751.db2.gz GYWUCWQLODOUSX-GFCCVEGCSA-N 1 2 350.375 0.448 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143789 250028554 /nfs/dbraw/zinc/02/85/54/250028554.db2.gz XPGSONIPZNEPBM-AWEZNQCLSA-N 1 2 356.354 0.891 20 5 FCBDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472636420 250169559 /nfs/dbraw/zinc/16/95/59/250169559.db2.gz IXAGGLSNZPGBLG-UHFFFAOYSA-N 1 2 368.365 0.853 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000473197246 250207712 /nfs/dbraw/zinc/20/77/12/250207712.db2.gz NOMKGOAELRRZCT-CQDKDKBSSA-N 1 2 362.386 0.255 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000473197246 250207716 /nfs/dbraw/zinc/20/77/16/250207716.db2.gz NOMKGOAELRRZCT-CQDKDKBSSA-N 1 2 362.386 0.255 20 5 FCBDLO CC(C)(C)NC(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000481140222 250316386 /nfs/dbraw/zinc/31/63/86/250316386.db2.gz JONBVJMERBYXNU-CYBMUJFWSA-N 1 2 354.411 0.278 20 5 FCBDLO 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CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000057554913 488273327 /nfs/dbraw/zinc/27/33/27/488273327.db2.gz CCQCXURBSBFYAQ-LLVKDONJSA-N 1 2 353.400 0.965 20 5 FCBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000058304123 488282178 /nfs/dbraw/zinc/28/21/78/488282178.db2.gz XZCTYNFRDJJFMW-UHFFFAOYSA-N 1 2 350.423 0.853 20 5 FCBDLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000268411266 488416218 /nfs/dbraw/zinc/41/62/18/488416218.db2.gz UXJKHJXCUCJJKB-FZMZJTMJSA-N 1 2 359.342 0.543 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000081015188 488438590 /nfs/dbraw/zinc/43/85/90/488438590.db2.gz FHEQPDJZUGBNPW-AWEZNQCLSA-N 1 2 363.374 0.774 20 5 FCBDLO O=[N+]([O-])c1cnn(CC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245411218 488463693 /nfs/dbraw/zinc/46/36/93/488463693.db2.gz VVIBZPOYQGHBPI-GXTWGEPZSA-N 1 2 358.420 0.459 20 5 FCBDLO O=[N+]([O-])c1cnn(CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245411218 488463695 /nfs/dbraw/zinc/46/36/95/488463695.db2.gz VVIBZPOYQGHBPI-GXTWGEPZSA-N 1 2 358.420 0.459 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000271697827 488539723 /nfs/dbraw/zinc/53/97/23/488539723.db2.gz MZUKSUQCHWNBES-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000271697827 488539724 /nfs/dbraw/zinc/53/97/24/488539724.db2.gz MZUKSUQCHWNBES-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261952978 488543637 /nfs/dbraw/zinc/54/36/37/488543637.db2.gz GGBCKWLGUUHPHC-LBPRGKRZSA-N 1 2 369.378 0.803 20 5 FCBDLO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000119127680 488555887 /nfs/dbraw/zinc/55/58/87/488555887.db2.gz HMLVVFASCIHTFR-IAQYHMDHSA-N 1 2 374.401 0.933 20 5 FCBDLO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000119127680 488555888 /nfs/dbraw/zinc/55/58/88/488555888.db2.gz HMLVVFASCIHTFR-IAQYHMDHSA-N 1 2 374.401 0.933 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000124336526 488591857 /nfs/dbraw/zinc/59/18/57/488591857.db2.gz HOASHKCOJNLAJI-UHFFFAOYSA-N 1 2 357.432 0.891 20 5 FCBDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000127880916 488620779 /nfs/dbraw/zinc/62/07/79/488620779.db2.gz XXPBLQMFKGEPOD-UHFFFAOYSA-N 1 2 362.430 0.880 20 5 FCBDLO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000127880916 488620780 /nfs/dbraw/zinc/62/07/80/488620780.db2.gz XXPBLQMFKGEPOD-UHFFFAOYSA-N 1 2 362.430 0.880 20 5 FCBDLO Cc1c(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000128834267 488626889 /nfs/dbraw/zinc/62/68/89/488626889.db2.gz BYIDJHOWKYQSOH-HNNXBMFYSA-N 1 2 351.403 0.597 20 5 FCBDLO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000273137908 488633965 /nfs/dbraw/zinc/63/39/65/488633965.db2.gz JRZZQEAHEPAFPE-STQMWFEESA-N 1 2 373.431 0.300 20 5 FCBDLO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000273137908 488633967 /nfs/dbraw/zinc/63/39/67/488633967.db2.gz JRZZQEAHEPAFPE-STQMWFEESA-N 1 2 373.431 0.300 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000264106846 488648139 /nfs/dbraw/zinc/64/81/39/488648139.db2.gz IJBKGAVHIUSGBZ-NSHDSACASA-N 1 2 370.431 0.922 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273701541 488667933 /nfs/dbraw/zinc/66/79/33/488667933.db2.gz CYCFUIMRNVPGJU-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO CC(C)(C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273820087 488672342 /nfs/dbraw/zinc/67/23/42/488672342.db2.gz FPYJVSYYQOZMPL-UHFFFAOYSA-N 1 2 366.393 0.950 20 5 FCBDLO CC(C)(C(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000273820087 488672344 /nfs/dbraw/zinc/67/23/44/488672344.db2.gz FPYJVSYYQOZMPL-UHFFFAOYSA-N 1 2 366.393 0.950 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000144539963 488692277 /nfs/dbraw/zinc/69/22/77/488692277.db2.gz FFCURPQDLXPNBW-UHFFFAOYSA-N 1 2 370.373 0.178 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000265622690 488721773 /nfs/dbraw/zinc/72/17/73/488721773.db2.gz AOIAHVFQBRYNOQ-LBPRGKRZSA-N 1 2 373.431 0.850 20 5 FCBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)S1 ZINC000274964236 488748485 /nfs/dbraw/zinc/74/84/85/488748485.db2.gz LMYQDPBUTUDYIY-SECBINFHSA-N 1 2 351.388 0.945 20 5 FCBDLO CCOC1CC(CNc2ncc([N+](=O)[O-])c(N)n2)([NH+]2CCOCC2)C1 ZINC000277828398 488789653 /nfs/dbraw/zinc/78/96/53/488789653.db2.gz JNKHZSVVNBOLSX-UHFFFAOYSA-N 1 2 352.395 0.649 20 5 FCBDLO COc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000267551456 488796698 /nfs/dbraw/zinc/79/66/98/488796698.db2.gz BMPPIBJXEMHJCR-CYBMUJFWSA-N 1 2 353.375 0.369 20 5 FCBDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278026824 488796683 /nfs/dbraw/zinc/79/66/83/488796683.db2.gz AWSOTNOCZUASFT-GFCCVEGCSA-N 1 2 361.406 0.516 20 5 FCBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278026824 488796684 /nfs/dbraw/zinc/79/66/84/488796684.db2.gz AWSOTNOCZUASFT-GFCCVEGCSA-N 1 2 361.406 0.516 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267658782 488810123 /nfs/dbraw/zinc/81/01/23/488810123.db2.gz ZFYNMBCEUHFLKA-OAHLLOKOSA-N 1 2 366.418 0.467 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000267658782 488810125 /nfs/dbraw/zinc/81/01/25/488810125.db2.gz ZFYNMBCEUHFLKA-OAHLLOKOSA-N 1 2 366.418 0.467 20 5 FCBDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000267708715 488814023 /nfs/dbraw/zinc/81/40/23/488814023.db2.gz WAANJSALFCVTNK-DZGCQCFKSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000267708715 488814025 /nfs/dbraw/zinc/81/40/25/488814025.db2.gz WAANJSALFCVTNK-DZGCQCFKSA-N 1 2 354.359 0.598 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000267713135 488814431 /nfs/dbraw/zinc/81/44/31/488814431.db2.gz RGRVGWPTYICDCE-AWEZNQCLSA-N 1 2 353.375 0.125 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000171418082 488823125 /nfs/dbraw/zinc/82/31/25/488823125.db2.gz YYNDPWVUYYBRQD-UHFFFAOYSA-N 1 2 360.374 0.580 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000171886433 488827908 /nfs/dbraw/zinc/82/79/08/488827908.db2.gz XAPGBKLLUSAEHG-MRXNPFEDSA-N 1 2 373.413 0.851 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173538887 488843441 /nfs/dbraw/zinc/84/34/41/488843441.db2.gz OPEATOSGGOQAOI-ZDUSSCGKSA-N 1 2 355.416 0.938 20 5 FCBDLO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC(=O)N(C)C1=O 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/nfs/dbraw/zinc/17/24/13/489172413.db2.gz URFYVIIXGVVQCX-GXTWGEPZSA-N 1 2 369.443 0.761 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000295401770 489193100 /nfs/dbraw/zinc/19/31/00/489193100.db2.gz SOPZIQGGNNMFMK-UHFFFAOYSA-N 1 2 363.823 0.983 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000283431914 489258315 /nfs/dbraw/zinc/25/83/15/489258315.db2.gz BNSQLGOHAJUABF-GFCCVEGCSA-N 1 2 363.374 0.373 20 5 FCBDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370001394 489302562 /nfs/dbraw/zinc/30/25/62/489302562.db2.gz HSKACBYBCNAMDB-INIZCTEOSA-N 1 2 369.385 0.921 20 5 FCBDLO CC(C)(CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000298796415 489366502 /nfs/dbraw/zinc/36/65/02/489366502.db2.gz ONJHMDINGVBYFV-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000299624978 489463565 /nfs/dbraw/zinc/46/35/65/489463565.db2.gz RHOOHVFSELNSRT-UHFFFAOYSA-N 1 2 364.402 0.887 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000299624978 489463567 /nfs/dbraw/zinc/46/35/67/489463567.db2.gz RHOOHVFSELNSRT-UHFFFAOYSA-N 1 2 364.402 0.887 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486951 489470631 /nfs/dbraw/zinc/47/06/31/489470631.db2.gz GAKHWUGSPDLNRN-MFKMUULPSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486951 489470632 /nfs/dbraw/zinc/47/06/32/489470632.db2.gz GAKHWUGSPDLNRN-MFKMUULPSA-N 1 2 356.404 0.545 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371617095 489490752 /nfs/dbraw/zinc/49/07/52/489490752.db2.gz SYVXXZLHVOIUCX-AWEZNQCLSA-N 1 2 362.386 0.855 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371617095 489490753 /nfs/dbraw/zinc/49/07/53/489490753.db2.gz SYVXXZLHVOIUCX-AWEZNQCLSA-N 1 2 362.386 0.855 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000451888039 489528208 /nfs/dbraw/zinc/52/82/08/489528208.db2.gz HMJSICDMYUSRPL-BETUJISGSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000451888039 489528209 /nfs/dbraw/zinc/52/82/09/489528209.db2.gz HMJSICDMYUSRPL-BETUJISGSA-N 1 2 357.432 0.812 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)C1 ZINC000416578518 489613428 /nfs/dbraw/zinc/61/34/28/489613428.db2.gz GSVCMHNLUMSLJV-LLVKDONJSA-N 1 2 357.388 0.320 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000416578518 489613431 /nfs/dbraw/zinc/61/34/31/489613431.db2.gz GSVCMHNLUMSLJV-LLVKDONJSA-N 1 2 357.388 0.320 20 5 FCBDLO C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373234970 489681158 /nfs/dbraw/zinc/68/11/58/489681158.db2.gz XRRMNUSWNGFVQO-SNVBAGLBSA-N 1 2 361.410 1.023 20 5 FCBDLO COc1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000377027754 489838628 /nfs/dbraw/zinc/83/86/28/489838628.db2.gz INOHZMALKAOGEC-UHFFFAOYSA-N 1 2 359.404 0.865 20 5 FCBDLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000433164189 489869541 /nfs/dbraw/zinc/86/95/41/489869541.db2.gz ZNONBYYMWOUGBP-LLVKDONJSA-N 1 2 369.374 0.980 20 5 FCBDLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000433164189 489869546 /nfs/dbraw/zinc/86/95/46/489869546.db2.gz ZNONBYYMWOUGBP-LLVKDONJSA-N 1 2 369.374 0.980 20 5 FCBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461400484 489908441 /nfs/dbraw/zinc/90/84/41/489908441.db2.gz VWHFRJJPTRWRRI-UHFFFAOYSA-N 1 2 364.402 0.772 20 5 FCBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461400484 489908447 /nfs/dbraw/zinc/90/84/47/489908447.db2.gz VWHFRJJPTRWRRI-UHFFFAOYSA-N 1 2 364.402 0.772 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 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HTALCGIEMJYVLT-LBPRGKRZSA-N 1 2 364.402 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532950916 490145973 /nfs/dbraw/zinc/14/59/73/490145973.db2.gz XRDGKUMNSDARDP-AWEZNQCLSA-N 1 2 365.342 0.767 20 5 FCBDLO COC(=O)[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000532950916 490145978 /nfs/dbraw/zinc/14/59/78/490145978.db2.gz XRDGKUMNSDARDP-AWEZNQCLSA-N 1 2 365.342 0.767 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000507197887 490187255 /nfs/dbraw/zinc/18/72/55/490187255.db2.gz SQRSRBJMUJLCLX-CYBMUJFWSA-N 1 2 351.407 0.653 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466945821 490232565 /nfs/dbraw/zinc/23/25/65/490232565.db2.gz FYRPBIWEIJFMJL-QWRGUYRKSA-N 1 2 365.390 0.934 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466945821 490232568 /nfs/dbraw/zinc/23/25/68/490232568.db2.gz FYRPBIWEIJFMJL-QWRGUYRKSA-N 1 2 365.390 0.934 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467001021 490238540 /nfs/dbraw/zinc/23/85/40/490238540.db2.gz CYACGQPLFUWAQB-ZWNOBZJWSA-N 1 2 361.358 0.230 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467001021 490238547 /nfs/dbraw/zinc/23/85/47/490238547.db2.gz CYACGQPLFUWAQB-ZWNOBZJWSA-N 1 2 361.358 0.230 20 5 FCBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000533499826 490245964 /nfs/dbraw/zinc/24/59/64/490245964.db2.gz WOYHLEOZNXLGDX-KBPBESRZSA-N 1 2 364.402 0.516 20 5 FCBDLO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000447686286 490258810 /nfs/dbraw/zinc/25/88/10/490258810.db2.gz PRXVFVMCDQBGEJ-UHFFFAOYSA-N 1 2 358.358 0.722 20 5 FCBDLO Cc1[nH]nc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000447686286 490258816 /nfs/dbraw/zinc/25/88/16/490258816.db2.gz PRXVFVMCDQBGEJ-UHFFFAOYSA-N 1 2 358.358 0.722 20 5 FCBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000521447518 490263452 /nfs/dbraw/zinc/26/34/52/490263452.db2.gz YMFUWYGGYMTVEW-OAHLLOKOSA-N 1 2 374.401 0.787 20 5 FCBDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000521447518 490263456 /nfs/dbraw/zinc/26/34/56/490263456.db2.gz YMFUWYGGYMTVEW-OAHLLOKOSA-N 1 2 374.401 0.787 20 5 FCBDLO CC[NH+]1CCN(C(=O)CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000571484678 491311185 /nfs/dbraw/zinc/31/11/85/491311185.db2.gz BOQHUATVUBXROI-UHFFFAOYSA-N 1 2 360.374 0.365 20 5 FCBDLO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000522526761 490384045 /nfs/dbraw/zinc/38/40/45/490384045.db2.gz DGVGKALMENDCJF-NSHDSACASA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000522526761 490384051 /nfs/dbraw/zinc/38/40/51/490384051.db2.gz DGVGKALMENDCJF-NSHDSACASA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O 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CCCc1[nH]nc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000537573384 490682951 /nfs/dbraw/zinc/68/29/51/490682951.db2.gz ZQVKORVEONTBGU-NSHDSACASA-N 1 2 367.406 0.980 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000537573384 490682955 /nfs/dbraw/zinc/68/29/55/490682955.db2.gz ZQVKORVEONTBGU-NSHDSACASA-N 1 2 367.406 0.980 20 5 FCBDLO CC(C)CN1C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCN2C1=O ZINC000488720258 490773068 /nfs/dbraw/zinc/77/30/68/490773068.db2.gz JUMGYIXBRNQQQU-HNNXBMFYSA-N 1 2 363.418 0.834 20 5 FCBDLO CC(C)CN1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCN2C1=O ZINC000488720258 490773070 /nfs/dbraw/zinc/77/30/70/490773070.db2.gz JUMGYIXBRNQQQU-HNNXBMFYSA-N 1 2 363.418 0.834 20 5 FCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCn1cc[nH+]c1 ZINC000516363095 490861893 /nfs/dbraw/zinc/86/18/93/490861893.db2.gz JQWJMDCTUYRFKL-UHFFFAOYSA-N 1 2 367.387 0.276 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000541819810 490873247 /nfs/dbraw/zinc/87/32/47/490873247.db2.gz GMFJMHYOUFWYBI-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000541819810 490873249 /nfs/dbraw/zinc/87/32/49/490873249.db2.gz GMFJMHYOUFWYBI-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000531419116 490957333 /nfs/dbraw/zinc/95/73/33/490957333.db2.gz TXWNPMNGKYSCNV-UHFFFAOYSA-N 1 2 359.342 0.613 20 5 FCBDLO CNc1nccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000557634980 491388571 /nfs/dbraw/zinc/38/85/71/491388571.db2.gz CAOAOLRDSHGCPG-UHFFFAOYSA-N 1 2 351.407 1.214 20 5 FCBDLO Cc1[nH]nc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000573756060 491452974 /nfs/dbraw/zinc/45/29/74/491452974.db2.gz MAUFSYQFNAIJCR-UHFFFAOYSA-N 1 2 358.362 0.899 20 5 FCBDLO Cc1n[nH]c(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000573756060 491452977 /nfs/dbraw/zinc/45/29/77/491452977.db2.gz MAUFSYQFNAIJCR-UHFFFAOYSA-N 1 2 358.362 0.899 20 5 FCBDLO CCOC1CC(CNC(=O)c2cc([N+](=O)[O-])cn2C)([NH+]2CCOCC2)C1 ZINC000576443631 491614978 /nfs/dbraw/zinc/61/49/78/491614978.db2.gz LNWGUUWSENNIHN-UHFFFAOYSA-N 1 2 366.418 0.933 20 5 FCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569237410 491644718 /nfs/dbraw/zinc/64/47/18/491644718.db2.gz KLTGLTRRFKVIEQ-UHFFFAOYSA-N 1 2 372.385 0.625 20 5 FCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569237410 491644721 /nfs/dbraw/zinc/64/47/21/491644721.db2.gz KLTGLTRRFKVIEQ-UHFFFAOYSA-N 1 2 372.385 0.625 20 5 FCBDLO CCc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000576939160 491657826 /nfs/dbraw/zinc/65/78/26/491657826.db2.gz SCNMCOIOWDSCJT-CYBMUJFWSA-N 1 2 356.448 0.681 20 5 FCBDLO CCc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000576939160 491657829 /nfs/dbraw/zinc/65/78/29/491657829.db2.gz SCNMCOIOWDSCJT-CYBMUJFWSA-N 1 2 356.448 0.681 20 5 FCBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000588966170 491752835 /nfs/dbraw/zinc/75/28/35/491752835.db2.gz JGMRYUNTMKKZLN-ABAIWWIYSA-N 1 2 353.375 0.607 20 5 FCBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000588966170 491752836 /nfs/dbraw/zinc/75/28/36/491752836.db2.gz JGMRYUNTMKKZLN-ABAIWWIYSA-N 1 2 353.375 0.607 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000589206547 491757428 /nfs/dbraw/zinc/75/74/28/491757428.db2.gz XPHQTUYNXPXEIY-NSHDSACASA-N 1 2 351.359 0.857 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000589206547 491757429 /nfs/dbraw/zinc/75/74/29/491757429.db2.gz XPHQTUYNXPXEIY-NSHDSACASA-N 1 2 351.359 0.857 20 5 FCBDLO Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000590591798 491780447 /nfs/dbraw/zinc/78/04/47/491780447.db2.gz XXFMTVVNIYYPBH-LLVKDONJSA-N 1 2 360.411 0.566 20 5 FCBDLO Cn1c[nH+]cc1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000583387307 491843915 /nfs/dbraw/zinc/84/39/15/491843915.db2.gz JPVLRCYKEDRVKP-UHFFFAOYSA-N 1 2 367.387 0.313 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1c[nH]nn1 ZINC000595547576 491941895 /nfs/dbraw/zinc/94/18/95/491941895.db2.gz VHEZIOKCPJSHKN-UHFFFAOYSA-N 1 2 354.392 0.166 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1c[nH]nn1 ZINC000595547576 491941896 /nfs/dbraw/zinc/94/18/96/491941896.db2.gz VHEZIOKCPJSHKN-UHFFFAOYSA-N 1 2 354.392 0.166 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1cn[nH]n1 ZINC000595547576 491941897 /nfs/dbraw/zinc/94/18/97/491941897.db2.gz VHEZIOKCPJSHKN-UHFFFAOYSA-N 1 2 354.392 0.166 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1cn[nH]n1 ZINC000595547576 491941898 /nfs/dbraw/zinc/94/18/98/491941898.db2.gz VHEZIOKCPJSHKN-UHFFFAOYSA-N 1 2 354.392 0.166 20 5 FCBDLO O=C1CC[C@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595727937 491950477 /nfs/dbraw/zinc/95/04/77/491950477.db2.gz GKHHURKCXJOPKI-SWLSCSKDSA-N 1 2 367.427 0.969 20 5 FCBDLO O=C1CC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595727937 491950478 /nfs/dbraw/zinc/95/04/78/491950478.db2.gz GKHHURKCXJOPKI-SWLSCSKDSA-N 1 2 367.427 0.969 20 5 FCBDLO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596065986 491974336 /nfs/dbraw/zinc/97/43/36/491974336.db2.gz LLZFGVNZHKUSCM-HNNXBMFYSA-N 1 2 356.386 0.921 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596106523 491975568 /nfs/dbraw/zinc/97/55/68/491975568.db2.gz FKEOLOAFWKAPKN-GFCCVEGCSA-N 1 2 367.406 0.359 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)[C@@H](C)CO1 ZINC000596428046 491985076 /nfs/dbraw/zinc/98/50/76/491985076.db2.gz GRYXSSVLAGFYAY-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)[C@@H](C)CO1 ZINC000596428046 491985079 /nfs/dbraw/zinc/98/50/79/491985079.db2.gz GRYXSSVLAGFYAY-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596569286 491991267 /nfs/dbraw/zinc/99/12/67/491991267.db2.gz SUNWOAKZIKSZFN-UHFFFAOYSA-N 1 2 367.387 0.933 20 5 FCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000596569286 491991269 /nfs/dbraw/zinc/99/12/69/491991269.db2.gz SUNWOAKZIKSZFN-UHFFFAOYSA-N 1 2 367.387 0.933 20 5 FCBDLO COc1cccc([C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2[nH+]ccn2C)c1 ZINC000604232339 492055488 /nfs/dbraw/zinc/05/54/88/492055488.db2.gz ZGJHUPINTZWEBF-AWEZNQCLSA-N 1 2 371.357 0.834 20 5 FCBDLO CC(=O)NC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000604520929 492062723 /nfs/dbraw/zinc/06/27/23/492062723.db2.gz LEUZUJOXUSGJEZ-HNNXBMFYSA-N 1 2 360.370 0.827 20 5 FCBDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000610450263 492246454 /nfs/dbraw/zinc/24/64/54/492246454.db2.gz CHYOOXTYTAOWGT-CHWSQXEVSA-N 1 2 356.379 0.195 20 5 FCBDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000610450263 492246455 /nfs/dbraw/zinc/24/64/55/492246455.db2.gz CHYOOXTYTAOWGT-CHWSQXEVSA-N 1 2 356.379 0.195 20 5 FCBDLO CN(C)S(=O)(=O)c1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000610784727 492262202 /nfs/dbraw/zinc/26/22/02/492262202.db2.gz OAZRRYPWSRWQTB-UHFFFAOYSA-N 1 2 354.388 0.956 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000619498786 492266886 /nfs/dbraw/zinc/26/68/86/492266886.db2.gz XACIAOHHVJTJBL-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000619498786 492266888 /nfs/dbraw/zinc/26/68/88/492266888.db2.gz XACIAOHHVJTJBL-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610898841 492267359 /nfs/dbraw/zinc/26/73/59/492267359.db2.gz HWFCVWRRJLRKSO-ZWNOBZJWSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610898841 492267362 /nfs/dbraw/zinc/26/73/62/492267362.db2.gz HWFCVWRRJLRKSO-ZWNOBZJWSA-N 1 2 359.404 0.601 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000611540037 492289901 /nfs/dbraw/zinc/28/99/01/492289901.db2.gz ZGNYNDXRNPINGP-DOMZBBRYSA-N 1 2 357.432 0.776 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611540037 492289902 /nfs/dbraw/zinc/28/99/02/492289902.db2.gz ZGNYNDXRNPINGP-DOMZBBRYSA-N 1 2 357.432 0.776 20 5 FCBDLO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000611556762 492290232 /nfs/dbraw/zinc/29/02/32/492290232.db2.gz CUQDYXTWLLVFBU-HNNXBMFYSA-N 1 2 362.386 0.679 20 5 FCBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)no1 ZINC000445184767 536061785 /nfs/dbraw/zinc/06/17/85/536061785.db2.gz PLANPZCCGROJOW-UHFFFAOYSA-N 1 2 350.335 0.805 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000594351423 546997689 /nfs/dbraw/zinc/99/76/89/546997689.db2.gz AXRSPELLTFRVTM-UHFFFAOYSA-N 1 2 353.400 0.990 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000594351423 546997692 /nfs/dbraw/zinc/99/76/92/546997692.db2.gz AXRSPELLTFRVTM-UHFFFAOYSA-N 1 2 353.400 0.990 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000475124091 547346254 /nfs/dbraw/zinc/34/62/54/547346254.db2.gz ZIBIYEKSOYRSNV-NSHDSACASA-N 1 2 373.387 0.009 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000475124091 547346259 /nfs/dbraw/zinc/34/62/59/547346259.db2.gz ZIBIYEKSOYRSNV-NSHDSACASA-N 1 2 373.387 0.009 20 5 FCBDLO CNc1nccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000552916311 547360934 /nfs/dbraw/zinc/36/09/34/547360934.db2.gz JBLMKLGRTAACFS-ZDUSSCGKSA-N 1 2 351.407 1.118 20 5 FCBDLO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736567916 598498631 /nfs/dbraw/zinc/49/86/31/598498631.db2.gz HHRRFESQEBRZKZ-UHFFFAOYSA-N 1 2 361.410 0.609 20 5 FCBDLO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000823635263 606640517 /nfs/dbraw/zinc/64/05/17/606640517.db2.gz UREXCNOCROCGST-GXTWGEPZSA-N 1 2 360.330 0.552 20 5 FCBDLO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000820776685 606716239 /nfs/dbraw/zinc/71/62/39/606716239.db2.gz MIGVSGWLJRZBIR-PWSUYJOCSA-N 1 2 360.378 0.327 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC000981136768 664813864 /nfs/dbraw/zinc/81/38/64/664813864.db2.gz GVVWSYHKVCBMNH-HUUCEWRRSA-N 1 2 352.435 0.635 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCCC1 ZINC000981136768 664813865 /nfs/dbraw/zinc/81/38/65/664813865.db2.gz GVVWSYHKVCBMNH-HUUCEWRRSA-N 1 2 352.435 0.635 20 5 FCBDLO O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044724462 666540441 /nfs/dbraw/zinc/54/04/41/666540441.db2.gz KUCIVCZMTLWRPM-NSHDSACASA-N 1 2 364.383 0.945 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650688 666829080 /nfs/dbraw/zinc/82/90/80/666829080.db2.gz NKJOKRLSCUIEBZ-UHFFFAOYSA-N 1 2 358.420 0.172 20 5 FCBDLO O=C(C[N@@H+]1CCc2sccc2C1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000993835370 666942639 /nfs/dbraw/zinc/94/26/39/666942639.db2.gz XVDZKBPEMPCBSV-CHWSQXEVSA-N 1 2 364.427 0.098 20 5 FCBDLO O=C(C[N@H+]1CCc2sccc2C1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000993835370 666942641 /nfs/dbraw/zinc/94/26/41/666942641.db2.gz XVDZKBPEMPCBSV-CHWSQXEVSA-N 1 2 364.427 0.098 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982252 667213912 /nfs/dbraw/zinc/21/39/12/667213912.db2.gz RTYMSYQKEGPSMP-RISCZKNCSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982252 667213913 /nfs/dbraw/zinc/21/39/13/667213913.db2.gz RTYMSYQKEGPSMP-RISCZKNCSA-N 1 2 374.438 0.955 20 5 FCBDLO C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000920008838 667218167 /nfs/dbraw/zinc/21/81/67/667218167.db2.gz HQALVVKJHMYSMZ-CMPLNLGQSA-N 1 2 360.411 0.647 20 5 FCBDLO C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000920008838 667218169 /nfs/dbraw/zinc/21/81/69/667218169.db2.gz HQALVVKJHMYSMZ-CMPLNLGQSA-N 1 2 360.411 0.647 20 5 FCBDLO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001001399254 667493457 /nfs/dbraw/zinc/49/34/57/667493457.db2.gz LCZBGYIIJIGUAL-VXGBXAGGSA-N 1 2 351.363 0.107 20 5 FCBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000768855036 668101644 /nfs/dbraw/zinc/10/16/44/668101644.db2.gz WSGSRYNRRAHHDD-LLVKDONJSA-N 1 2 361.445 0.999 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000769481824 668134325 /nfs/dbraw/zinc/13/43/25/668134325.db2.gz WCTBKNKGXPCXKZ-RUZDIDTESA-N 1 2 369.443 0.862 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000779485808 668422172 /nfs/dbraw/zinc/42/21/72/668422172.db2.gz STIUGPJKLFCUCH-UHFFFAOYSA-N 1 2 370.431 0.416 20 5 FCBDLO CCOC(=O)CNC(=O)C1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779868198 668441022 /nfs/dbraw/zinc/44/10/22/668441022.db2.gz WAQAGCRKWUFZHY-UHFFFAOYSA-N 1 2 353.379 0.449 20 5 FCBDLO CCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000823860588 669363288 /nfs/dbraw/zinc/36/32/88/669363288.db2.gz HXVHXHLZVADCQV-UHFFFAOYSA-N 1 2 368.419 0.583 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000812838253 669817296 /nfs/dbraw/zinc/81/72/96/669817296.db2.gz YHXXUDVIBCHUEN-UHFFFAOYSA-N 1 2 353.375 0.945 20 5 FCBDLO Cc1nn(C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000814231197 669878764 /nfs/dbraw/zinc/87/87/64/669878764.db2.gz PVBBBFFBXKIKJJ-UHFFFAOYSA-N 1 2 369.403 0.715 20 5 FCBDLO Cc1nn(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000814231197 669878766 /nfs/dbraw/zinc/87/87/66/669878766.db2.gz PVBBBFFBXKIKJJ-UHFFFAOYSA-N 1 2 369.403 0.715 20 5 FCBDLO CC[NH2+]Cc1noc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000843143189 670777675 /nfs/dbraw/zinc/77/76/75/670777675.db2.gz QSFNKHKGLAUHQO-UHFFFAOYSA-N 1 2 370.391 0.389 20 5 FCBDLO COCCOCCN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844467416 670924883 /nfs/dbraw/zinc/92/48/83/670924883.db2.gz KIVRJKQJKKBRFY-KRWDZBQOSA-N 1 2 353.419 0.909 20 5 FCBDLO CCc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)s1 ZINC001048814352 675898498 /nfs/dbraw/zinc/89/84/98/675898498.db2.gz HBVAQFNHHKVCQI-WRWGMCAJSA-N 1 2 351.432 0.656 20 5 FCBDLO CCc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)s1 ZINC001048814352 675898499 /nfs/dbraw/zinc/89/84/99/675898499.db2.gz HBVAQFNHHKVCQI-WRWGMCAJSA-N 1 2 351.432 0.656 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000947307691 1181609680 /nfs/dbraw/zinc/60/96/80/1181609680.db2.gz MNYNQJNBXBIORZ-TZMCWYRMSA-N 1 2 365.390 0.122 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccn12 ZINC000976484513 1185959024 /nfs/dbraw/zinc/95/90/24/1185959024.db2.gz SIHXVDWCXDJGNQ-SSZWKKLZSA-N 1 2 369.381 0.495 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H](CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC000978796282 1186008886 /nfs/dbraw/zinc/00/88/86/1186008886.db2.gz RRUNCDLRCBFPCM-FAAHXZRKSA-N 1 2 371.397 0.933 20 5 FCBDLO O=C(N[C@@H]1CCc2nnnn2CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000422063350 1187829237 /nfs/dbraw/zinc/82/92/37/1187829237.db2.gz IHMXFUWGJBAZEB-GFCCVEGCSA-N 1 2 368.357 0.902 20 5 FCBDLO COc1cc(OCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000896567357 1190094618 /nfs/dbraw/zinc/09/46/18/1190094618.db2.gz GGLDAPLPZZFUBL-SWLSCSKDSA-N 1 2 366.418 0.733 20 5 FCBDLO COc1cc(OCC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000896567357 1190094621 /nfs/dbraw/zinc/09/46/21/1190094621.db2.gz GGLDAPLPZZFUBL-SWLSCSKDSA-N 1 2 366.418 0.733 20 5 FCBDLO COc1cc(OCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000896567355 1190095197 /nfs/dbraw/zinc/09/51/97/1190095197.db2.gz GGLDAPLPZZFUBL-IUODEOHRSA-N 1 2 366.418 0.733 20 5 FCBDLO COc1cc(OCC(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000896567355 1190095201 /nfs/dbraw/zinc/09/52/01/1190095201.db2.gz GGLDAPLPZZFUBL-IUODEOHRSA-N 1 2 366.418 0.733 20 5 FCBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363170 1198326551 /nfs/dbraw/zinc/32/65/51/1198326551.db2.gz GBJGEOODEDJAGE-RRCSTGOVSA-N 1 2 370.413 0.917 20 5 FCBDLO CCOC(=O)COc1ncc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC001169132136 1199048886 /nfs/dbraw/zinc/04/88/86/1199048886.db2.gz GEWBSHPJODVRPK-KOLCDFICSA-N 1 2 368.346 0.247 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000790132746 1201055330 /nfs/dbraw/zinc/05/53/30/1201055330.db2.gz QQNBWNSDSQYEGJ-ZDUSSCGKSA-N 1 2 365.386 0.965 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)OCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000800078189 1210710665 /nfs/dbraw/zinc/71/06/65/1210710665.db2.gz KVTSODFXDNRFOO-ZDUSSCGKSA-N 1 2 365.386 0.897 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)OCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000800078189 1210710669 /nfs/dbraw/zinc/71/06/69/1210710669.db2.gz KVTSODFXDNRFOO-ZDUSSCGKSA-N 1 2 365.386 0.897 20 5 FCBDLO O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000952753741 1212977434 /nfs/dbraw/zinc/97/74/34/1212977434.db2.gz CLFDLQIGDFFSPJ-LXTVHRRPSA-N 1 2 361.402 0.530 20 5 FCBDLO CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000955205556 1213136450 /nfs/dbraw/zinc/13/64/50/1213136450.db2.gz HPDNOHBRDMJBCR-UKRRQHHQSA-N 1 2 370.369 0.215 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001013999937 1213916841 /nfs/dbraw/zinc/91/68/41/1213916841.db2.gz BRRGIDLLHHZGQM-FZOOGMQUSA-N 1 2 361.402 0.400 20 5 FCBDLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019013785 1214178232 /nfs/dbraw/zinc/17/82/32/1214178232.db2.gz LUIARXBONCVTDS-IUODEOHRSA-N 1 2 369.381 0.903 20 5 FCBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2noc(C3CCOCC3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139717 1214313841 /nfs/dbraw/zinc/31/38/41/1214313841.db2.gz LXLKYMWHDAZMKU-FDYHWXHSSA-N 1 2 365.390 0.366 20 5 FCBDLO Cc1cn(C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c[nH+]1 ZINC001067391956 1217401816 /nfs/dbraw/zinc/40/18/16/1217401816.db2.gz RHRLLWDVUDZVHV-ZIAGYGMSSA-N 1 2 365.434 0.899 20 5 FCBDLO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001073127024 1219638927 /nfs/dbraw/zinc/63/89/27/1219638927.db2.gz BLVPGDIJLWNBRH-ZIAGYGMSSA-N 1 2 363.418 0.826 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000749681166 1219807139 /nfs/dbraw/zinc/80/71/39/1219807139.db2.gz CVWSZJSIXZXLRB-UHFFFAOYSA-N 1 2 364.402 0.662 20 5 FCBDLO NC(=O)c1ccc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000750091290 1219853481 /nfs/dbraw/zinc/85/34/81/1219853481.db2.gz IIOPKBQAFLVMLJ-MRXNPFEDSA-N 1 2 371.397 0.944 20 5 FCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000797089765 1221268464 /nfs/dbraw/zinc/26/84/64/1221268464.db2.gz GRIXICVSQHXZSP-JTQLQIEISA-N 1 2 368.394 0.599 20 5 FCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000797089765 1221268467 /nfs/dbraw/zinc/26/84/67/1221268467.db2.gz GRIXICVSQHXZSP-JTQLQIEISA-N 1 2 368.394 0.599 20 5 FCBDLO CC(C)n1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530695 1221311415 /nfs/dbraw/zinc/31/14/15/1221311415.db2.gz LYIYMPQGUOGZGZ-CHWSQXEVSA-N 1 2 365.438 0.828 20 5 FCBDLO COc1ccc(C(=O)CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001151260511 1222921408 /nfs/dbraw/zinc/92/14/08/1222921408.db2.gz NWPZWPDQGGAONQ-FZMZJTMJSA-N 1 2 362.386 0.291 20 5 FCBDLO COc1ccc(C(=O)CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001151260511 1222921417 /nfs/dbraw/zinc/92/14/17/1222921417.db2.gz NWPZWPDQGGAONQ-FZMZJTMJSA-N 1 2 362.386 0.291 20 5 FCBDLO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c(N)c([N+](=O)[O-])c1 ZINC001151970287 1222939248 /nfs/dbraw/zinc/93/92/48/1222939248.db2.gz PVQABYIDDLSIGG-ZDUSSCGKSA-N 1 2 362.386 0.995 20 5 FCBDLO [NH3+][C@@H]1NCN(C(=O)c2ccc3oc4ccccc4c(=O)c3c2)[C@@H]2NCN[C@@H]21 ZINC001153427029 1222976145 /nfs/dbraw/zinc/97/61/45/1222976145.db2.gz PNXMKNICVLLPRX-NXHRZFHOSA-N 1 2 365.393 0.079 20 5 FCBDLO COc1cncc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001160107304 1223146128 /nfs/dbraw/zinc/14/61/28/1223146128.db2.gz MDGHTMSSZKISST-HUUCEWRRSA-N 1 2 361.402 0.789 20 5 FCBDLO COc1cncc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001160107304 1223146130 /nfs/dbraw/zinc/14/61/30/1223146130.db2.gz MDGHTMSSZKISST-HUUCEWRRSA-N 1 2 361.402 0.789 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997772469 1251700321 /nfs/dbraw/zinc/70/03/21/1251700321.db2.gz NHMMBOSJNILPPH-CHWSQXEVSA-N 1 2 365.438 0.422 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N3CC(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC001001811019 1252355510 /nfs/dbraw/zinc/35/55/10/1252355510.db2.gz UUFIMWNVENHENR-ZIAGYGMSSA-N 1 2 357.370 0.496 20 5 FCBDLO O=C(NCC1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001811056 1252356135 /nfs/dbraw/zinc/35/61/35/1252356135.db2.gz WPALVXBQOFRMQO-HZPDHXFCSA-N 1 2 369.381 0.726 20 5 FCBDLO O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001003890977 1253133439 /nfs/dbraw/zinc/13/34/39/1253133439.db2.gz UAKKZXUBURWUTC-HUUCEWRRSA-N 1 2 370.369 0.121 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(C[N+](=O)[O-])n1C[C@H]1CCCCO1 ZINC001519877721 1265790871 /nfs/dbraw/zinc/79/08/71/1265790871.db2.gz PSFBRSCFQQGRCA-CQSZACIVSA-N 1 2 368.438 0.392 20 5 FCBDLO Cc1[nH+]ccn1CCCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001063643037 1254366061 /nfs/dbraw/zinc/36/60/61/1254366061.db2.gz AVWVVZUVMCHTFF-ZIAGYGMSSA-N 1 2 363.418 0.792 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001079744270 1255591971 /nfs/dbraw/zinc/59/19/71/1255591971.db2.gz ZINRDXFMHJSKFB-HUUCEWRRSA-N 1 2 363.418 0.696 20 5 FCBDLO CC(=O)NCc1nnc2n1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594113 1259889173 /nfs/dbraw/zinc/88/91/73/1259889173.db2.gz CZUMXRNSIHJDTL-HNNXBMFYSA-N 1 2 356.386 0.805 20 5 FCBDLO CC(=O)NCc1nnc2n1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594113 1259889177 /nfs/dbraw/zinc/88/91/77/1259889177.db2.gz CZUMXRNSIHJDTL-HNNXBMFYSA-N 1 2 356.386 0.805 20 5 FCBDLO COC(=O)C1(O)CC[NH+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001579439145 1277314308 /nfs/dbraw/zinc/31/43/08/1277314308.db2.gz FHIOECIYWRGYHE-UHFFFAOYSA-N 1 2 362.346 0.275 20 5 FCBDLO Nc1c([N+](=O)[O-])ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c1-c1nn[nH]n1 ZINC001581909194 1280707249 /nfs/dbraw/zinc/70/72/49/1280707249.db2.gz SXGHYKXZAFBIJL-UHFFFAOYSA-N 1 2 370.377 0.402 20 5 FCBDLO Cn1cc(C[N@H+](C)C[C@H](O)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC001591151323 1284220031 /nfs/dbraw/zinc/22/00/31/1284220031.db2.gz UTMABPRYAIRBIT-ZDUSSCGKSA-N 1 2 358.362 0.674 20 5 FCBDLO Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC001591151323 1284220036 /nfs/dbraw/zinc/22/00/36/1284220036.db2.gz UTMABPRYAIRBIT-ZDUSSCGKSA-N 1 2 358.362 0.674 20 5 FCBDLO Cc1cc(NCCn2cnc(-c3nn[nH]n3)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001592050740 1285096480 /nfs/dbraw/zinc/09/64/80/1285096480.db2.gz DICATYJICSPPDZ-UHFFFAOYSA-N 1 2 366.345 0.757 20 5 FCBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001593414924 1286139114 /nfs/dbraw/zinc/13/91/14/1286139114.db2.gz PGELRPQVIHKDMF-CQSZACIVSA-N 1 2 373.373 0.967 20 5 FCBDLO C[C@@H]1C[N@@H+](CCN(C)c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001609376391 1289128653 /nfs/dbraw/zinc/12/86/53/1289128653.db2.gz RLPOBIMPPFOSBM-PHIMTYICSA-N 1 2 362.394 0.715 20 5 FCBDLO C[C@@H]1C[N@H+](CCN(C)c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001609376391 1289128659 /nfs/dbraw/zinc/12/86/59/1289128659.db2.gz RLPOBIMPPFOSBM-PHIMTYICSA-N 1 2 362.394 0.715 20 5 FCBDLO C[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 ZINC001604861687 1287802405 /nfs/dbraw/zinc/80/24/05/1287802405.db2.gz PPTZAUUXLZBSRQ-UHFFFAOYSA-N 1 2 367.391 0.101 20 5 FCBDLO C[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 ZINC001604861687 1287802408 /nfs/dbraw/zinc/80/24/08/1287802408.db2.gz PPTZAUUXLZBSRQ-UHFFFAOYSA-N 1 2 367.391 0.101 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746467349 836184440 /nfs/dbraw/zinc/18/44/40/836184440.db2.gz AVSWOJBMALWSFH-SGANQWHYSA-N 1 2 371.459 0.331 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000746473499 836185949 /nfs/dbraw/zinc/18/59/49/836185949.db2.gz JIWDOJCEZCOAFT-RUZDIDTESA-N 1 2 368.459 0.920 20 5 FCBDLO CC(C)(C)c1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC001086363412 842126976 /nfs/dbraw/zinc/12/69/76/842126976.db2.gz SAZHYWKFBZFUJK-DDHJBXDOSA-N 1 2 350.423 0.752 20 5 FCBDLO Cc1cnc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001098364369 843910393 /nfs/dbraw/zinc/91/03/93/843910393.db2.gz RJGFLLZTVPKMKN-ZIAGYGMSSA-N 1 2 352.391 0.434 20 5 FCBDLO Cc1cnc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001098364369 843910396 /nfs/dbraw/zinc/91/03/96/843910396.db2.gz RJGFLLZTVPKMKN-ZIAGYGMSSA-N 1 2 352.391 0.434 20 5 FCBDLO CN1CC[NH+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC001116069815 846603297 /nfs/dbraw/zinc/60/32/97/846603297.db2.gz OFBFSBIZCLEANE-UHFFFAOYSA-N 1 2 352.439 0.669 20 5 FCBDLO C[NH+](C)Cc1csc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1 ZINC001223647735 856934560 /nfs/dbraw/zinc/93/45/60/856934560.db2.gz RTUHAAADYBGKTG-UHFFFAOYSA-N 1 2 353.408 0.809 20 5 FCBDLO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308892001 866722696 /nfs/dbraw/zinc/72/26/96/866722696.db2.gz GMOLCRABRPXQOC-IUCAKERBSA-N 1 2 350.331 0.892 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318443807 867666979 /nfs/dbraw/zinc/66/69/79/867666979.db2.gz JYTLGLVNXIKPDE-GFCCVEGCSA-N 1 2 350.375 0.430 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001318443807 867666986 /nfs/dbraw/zinc/66/69/86/867666986.db2.gz JYTLGLVNXIKPDE-GFCCVEGCSA-N 1 2 350.375 0.430 20 5 FCBDLO C[C@H](O)CN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000292415053 214099745 /nfs/dbraw/zinc/09/97/45/214099745.db2.gz SVVPBBZHNFYQAK-LBPRGKRZSA-N 1 2 372.447 0.348 20 5 FCBDLO COc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000295228475 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352.420 0.817 20 5 FCBDLO O=C(c1cccs1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174663099 488850748 /nfs/dbraw/zinc/85/07/48/488850748.db2.gz FRNHHRRQGJQWSW-ZDUSSCGKSA-N 1 2 365.415 0.672 20 5 FCBDLO O=C(CCc1c[nH+]c[nH]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280108918 488985166 /nfs/dbraw/zinc/98/51/66/488985166.db2.gz BGBONHRCBXMNDX-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO O=C(CCc1c[nH]c[nH+]1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280108918 488985168 /nfs/dbraw/zinc/98/51/68/488985168.db2.gz BGBONHRCBXMNDX-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO CCOc1cc(N2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000280253900 488993145 /nfs/dbraw/zinc/99/31/45/488993145.db2.gz OTDTUWNYUZVZJB-NSHDSACASA-N 1 2 365.390 0.699 20 5 FCBDLO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000288613206 488997621 /nfs/dbraw/zinc/99/76/21/488997621.db2.gz LHBZNDUSFUFPIJ-UHFFFAOYSA-N 1 2 362.427 0.896 20 5 FCBDLO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCn3c[nH+]cc3C1)OCCO2 ZINC000289671589 489085224 /nfs/dbraw/zinc/08/52/24/489085224.db2.gz UUAWFLPBXNSUSD-UHFFFAOYSA-N 1 2 366.355 0.767 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000289834412 489096111 /nfs/dbraw/zinc/09/61/11/489096111.db2.gz AUSFWIQIHXTDRN-GFCCVEGCSA-N 1 2 364.402 0.933 20 5 FCBDLO O=C(NCCCn1cc(CO)nn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000290498476 489145025 /nfs/dbraw/zinc/14/50/25/489145025.db2.gz FUWXOAAQEGXOJV-UHFFFAOYSA-N 1 2 371.357 0.684 20 5 FCBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000282731451 489186826 /nfs/dbraw/zinc/18/68/26/489186826.db2.gz IAGBXCGALYKHCF-SNVBAGLBSA-N 1 2 368.365 0.818 20 5 FCBDLO COc1cc(OCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366475237 489186873 /nfs/dbraw/zinc/18/68/73/489186873.db2.gz RMLVJUBEYCMVIW-CYBMUJFWSA-N 1 2 365.386 0.915 20 5 FCBDLO CC(C)(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000298318634 489315661 /nfs/dbraw/zinc/31/56/61/489315661.db2.gz YFVNKRGIOHPVSJ-UHFFFAOYSA-N 1 2 364.402 0.552 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000299185286 489414735 /nfs/dbraw/zinc/41/47/35/489414735.db2.gz AHGYSMINIQLWEF-GFCCVEGCSA-N 1 2 368.415 0.835 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000299185286 489414738 /nfs/dbraw/zinc/41/47/38/489414738.db2.gz AHGYSMINIQLWEF-GFCCVEGCSA-N 1 2 368.415 0.835 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486952 489470785 /nfs/dbraw/zinc/47/07/85/489470785.db2.gz GAKHWUGSPDLNRN-ZWNOBZJWSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486952 489470787 /nfs/dbraw/zinc/47/07/87/489470787.db2.gz GAKHWUGSPDLNRN-ZWNOBZJWSA-N 1 2 356.404 0.545 20 5 FCBDLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000371465815 489485222 /nfs/dbraw/zinc/48/52/22/489485222.db2.gz IHSQXIWXKOUFAS-UHFFFAOYSA-N 1 2 363.370 0.484 20 5 FCBDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451629911 489512660 /nfs/dbraw/zinc/51/26/60/489512660.db2.gz DSZGVKTXFFOWHF-PHIMTYICSA-N 1 2 362.342 0.136 20 5 FCBDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451629911 489512664 /nfs/dbraw/zinc/51/26/64/489512664.db2.gz DSZGVKTXFFOWHF-PHIMTYICSA-N 1 2 362.342 0.136 20 5 FCBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000371934040 489526423 /nfs/dbraw/zinc/52/64/23/489526423.db2.gz VQVKNJVWMSGYSU-CQSZACIVSA-N 1 2 355.416 0.831 20 5 FCBDLO Cn1cc(C[NH+]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000426980565 489589814 /nfs/dbraw/zinc/58/98/14/489589814.db2.gz LJRMDVUUTHRXJS-UHFFFAOYSA-N 1 2 362.394 0.052 20 5 FCBDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416574128 489612123 /nfs/dbraw/zinc/61/21/23/489612123.db2.gz ZJYRBCNJHVGTMD-UHFFFAOYSA-N 1 2 373.431 0.563 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000427505660 489612543 /nfs/dbraw/zinc/61/25/43/489612543.db2.gz OMSDJPLKUMZKLZ-SECBINFHSA-N 1 2 365.371 0.253 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427505660 489612548 /nfs/dbraw/zinc/61/25/48/489612548.db2.gz OMSDJPLKUMZKLZ-SECBINFHSA-N 1 2 365.371 0.253 20 5 FCBDLO COCCNC(=O)C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000458355644 489678491 /nfs/dbraw/zinc/67/84/91/489678491.db2.gz YLUIAVFODOQUMU-UHFFFAOYSA-N 1 2 373.369 0.806 20 5 FCBDLO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000489035953 489691925 /nfs/dbraw/zinc/69/19/25/489691925.db2.gz LTMBEJJXFQYGRU-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000489035953 489691927 /nfs/dbraw/zinc/69/19/27/489691927.db2.gz LTMBEJJXFQYGRU-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459491543 489734905 /nfs/dbraw/zinc/73/49/05/489734905.db2.gz DHAHIETWFMBWCS-UHFFFAOYSA-N 1 2 357.436 0.393 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000376548731 489752495 /nfs/dbraw/zinc/75/24/95/489752495.db2.gz YNLDHKAAHYCTGY-QWHCGFSZSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000376548731 489752501 /nfs/dbraw/zinc/75/25/01/489752501.db2.gz YNLDHKAAHYCTGY-QWHCGFSZSA-N 1 2 354.359 0.598 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494736239 489910164 /nfs/dbraw/zinc/91/01/64/489910164.db2.gz NXFZQPVVOXPAQU-GFCCVEGCSA-N 1 2 356.404 0.207 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494736239 489910169 /nfs/dbraw/zinc/91/01/69/489910169.db2.gz NXFZQPVVOXPAQU-GFCCVEGCSA-N 1 2 356.404 0.207 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494735623 489910488 /nfs/dbraw/zinc/91/04/88/489910488.db2.gz PJALOYIEYQVARR-SMDDNHRTSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494735623 489910491 /nfs/dbraw/zinc/91/04/91/489910491.db2.gz PJALOYIEYQVARR-SMDDNHRTSA-N 1 2 370.431 0.935 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434997733 489972767 /nfs/dbraw/zinc/97/27/67/489972767.db2.gz WTTSFOJLMQQXCV-XJKSGUPXSA-N 1 2 366.418 0.547 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccnc(N)c1 ZINC000420974944 490037315 /nfs/dbraw/zinc/03/73/15/490037315.db2.gz PNNUWIFJAYGXEX-UHFFFAOYSA-N 1 2 365.415 0.982 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccnc(N)c1 ZINC000420974944 490037317 /nfs/dbraw/zinc/03/73/17/490037317.db2.gz PNNUWIFJAYGXEX-UHFFFAOYSA-N 1 2 365.415 0.982 20 5 FCBDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000445157263 490131211 /nfs/dbraw/zinc/13/12/11/490131211.db2.gz HXMMADNACGYKJM-LLVKDONJSA-N 1 2 374.357 0.350 20 5 FCBDLO COc1ccc(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000497536935 490174169 /nfs/dbraw/zinc/17/41/69/490174169.db2.gz FRYCKLSWCAAQDY-UHFFFAOYSA-N 1 2 352.391 0.676 20 5 FCBDLO COc1ccc(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000497536935 490174175 /nfs/dbraw/zinc/17/41/75/490174175.db2.gz FRYCKLSWCAAQDY-UHFFFAOYSA-N 1 2 352.391 0.676 20 5 FCBDLO O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CC[NH+](CCO)CC1 ZINC000497646421 490188712 /nfs/dbraw/zinc/18/87/12/490188712.db2.gz VVLXAFCMCUAYNJ-UHFFFAOYSA-N 1 2 355.416 0.429 20 5 FCBDLO CCOC(=O)C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000533515958 490246033 /nfs/dbraw/zinc/24/60/33/490246033.db2.gz XMOBHPIPQUYAAJ-INIZCTEOSA-N 1 2 374.397 0.843 20 5 FCBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)S(N)(=O)=O ZINC000507691079 490250260 /nfs/dbraw/zinc/25/02/60/490250260.db2.gz YNKSOCPLEJLZCU-SECBINFHSA-N 1 2 353.360 0.187 20 5 FCBDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533555659 490255577 /nfs/dbraw/zinc/25/55/77/490255577.db2.gz RAQIXBORSVXLNE-UHFFFAOYSA-N 1 2 372.447 0.969 20 5 FCBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000467190402 490264944 /nfs/dbraw/zinc/26/49/44/490264944.db2.gz GDKLZDHDKFNEGQ-UZKFNYRNSA-N 1 2 357.388 0.961 20 5 FCBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000467190402 490264953 /nfs/dbraw/zinc/26/49/53/490264953.db2.gz GDKLZDHDKFNEGQ-UZKFNYRNSA-N 1 2 357.388 0.961 20 5 FCBDLO Cn1c[nH+]cc1CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000547804863 490360093 /nfs/dbraw/zinc/36/00/93/490360093.db2.gz MBJDRDLPNPDBJD-UHFFFAOYSA-N 1 2 360.374 0.486 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000547930567 490389939 /nfs/dbraw/zinc/38/99/39/490389939.db2.gz SAKNHQOYBQYWJK-UHFFFAOYSA-N 1 2 357.370 0.855 20 5 FCBDLO C[C@H](CO)[N@@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000468738239 490443735 /nfs/dbraw/zinc/44/37/35/490443735.db2.gz ZVKKCQYELMYYNK-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@H](CO)[N@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000468738239 490443738 /nfs/dbraw/zinc/44/37/38/490443738.db2.gz ZVKKCQYELMYYNK-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO NS(=O)(=O)CC[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450359230 490460463 /nfs/dbraw/zinc/46/04/63/490460463.db2.gz FOGTVFUYQWOSMS-UHFFFAOYSA-N 1 2 365.415 0.554 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000500080059 490483098 /nfs/dbraw/zinc/48/30/98/490483098.db2.gz CPVBGRBQOCWNPK-NSHDSACASA-N 1 2 350.375 0.886 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000500080059 490483104 /nfs/dbraw/zinc/48/31/04/490483104.db2.gz CPVBGRBQOCWNPK-NSHDSACASA-N 1 2 350.375 0.886 20 5 FCBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000511822514 490630552 /nfs/dbraw/zinc/63/05/52/490630552.db2.gz MHDSALNXWWHCJY-HNNXBMFYSA-N 1 2 374.401 0.684 20 5 FCBDLO CCOc1ccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 ZINC000511897353 490635930 /nfs/dbraw/zinc/63/59/30/490635930.db2.gz GGERLRNQJQDMBN-UHFFFAOYSA-N 1 2 374.401 0.929 20 5 FCBDLO C[N@@H+](CC(N)=O)C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000501939958 490656944 /nfs/dbraw/zinc/65/69/44/490656944.db2.gz VSXPZHCRLOESBJ-NSHDSACASA-N 1 2 356.810 0.866 20 5 FCBDLO C[N@H+](CC(N)=O)C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000501939958 490656946 /nfs/dbraw/zinc/65/69/46/490656946.db2.gz VSXPZHCRLOESBJ-NSHDSACASA-N 1 2 356.810 0.866 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000556988520 491346583 /nfs/dbraw/zinc/34/65/83/491346583.db2.gz GTXBJXKZQQVCMP-GFCCVEGCSA-N 1 2 353.379 0.183 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000556988520 491346586 /nfs/dbraw/zinc/34/65/86/491346586.db2.gz GTXBJXKZQQVCMP-GFCCVEGCSA-N 1 2 353.379 0.183 20 5 FCBDLO COC(=O)[C@@]1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000502766497 490720467 /nfs/dbraw/zinc/72/04/67/490720467.db2.gz RKITZHCTTBCWGK-MRXNPFEDSA-N 1 2 365.342 0.815 20 5 FCBDLO COc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1[N+](=O)[O-] ZINC000487609756 490720788 /nfs/dbraw/zinc/72/07/88/490720788.db2.gz QYIVRZVWQCCHDF-UHFFFAOYSA-N 1 2 360.374 0.653 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCNc1cccc[nH+]1 ZINC000514107565 490762784 /nfs/dbraw/zinc/76/27/84/490762784.db2.gz NBRAQIZEJFJZGQ-UHFFFAOYSA-N 1 2 371.353 0.944 20 5 FCBDLO COc1ccccc1[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505507746 490831843 /nfs/dbraw/zinc/83/18/43/490831843.db2.gz RZIAXHJMWJPPPA-CQSZACIVSA-N 1 2 372.381 0.938 20 5 FCBDLO O=C1C[C@]2(CN1)CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000541282515 490857314 /nfs/dbraw/zinc/85/73/14/490857314.db2.gz NFICUGCKPWGPPS-INIZCTEOSA-N 1 2 367.427 0.971 20 5 FCBDLO O=C1C[C@]2(CN1)CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000541282515 490857317 /nfs/dbraw/zinc/85/73/17/490857317.db2.gz NFICUGCKPWGPPS-INIZCTEOSA-N 1 2 367.427 0.971 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000530617991 490915821 /nfs/dbraw/zinc/91/58/21/490915821.db2.gz OZQDHEMSXPXPBX-UHFFFAOYSA-N 1 2 356.404 0.475 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517829877 490922415 /nfs/dbraw/zinc/92/24/15/490922415.db2.gz UCPIICYAEGXJNZ-CYBMUJFWSA-N 1 2 364.402 0.552 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517829877 490922416 /nfs/dbraw/zinc/92/24/16/490922416.db2.gz UCPIICYAEGXJNZ-CYBMUJFWSA-N 1 2 364.402 0.552 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517829878 490922516 /nfs/dbraw/zinc/92/25/16/490922516.db2.gz UCPIICYAEGXJNZ-ZDUSSCGKSA-N 1 2 364.402 0.552 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517829878 490922517 /nfs/dbraw/zinc/92/25/17/490922517.db2.gz UCPIICYAEGXJNZ-ZDUSSCGKSA-N 1 2 364.402 0.552 20 5 FCBDLO C[C@@H](Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000517873061 490923501 /nfs/dbraw/zinc/92/35/01/490923501.db2.gz BSJMYRGLRXDABQ-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO C[NH+]1CCN(CCCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000543694079 490941803 /nfs/dbraw/zinc/94/18/03/490941803.db2.gz PGUCSIRMIOYCFD-UHFFFAOYSA-N 1 2 371.463 0.682 20 5 FCBDLO CNC(=O)[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000543846383 490949509 /nfs/dbraw/zinc/94/95/09/490949509.db2.gz GPUPRBXBNWCCJC-AWEZNQCLSA-N 1 2 364.358 0.340 20 5 FCBDLO CNC(=O)[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000543846383 490949511 /nfs/dbraw/zinc/94/95/11/490949511.db2.gz GPUPRBXBNWCCJC-AWEZNQCLSA-N 1 2 364.358 0.340 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCO1 ZINC000531657482 490969952 /nfs/dbraw/zinc/96/99/52/490969952.db2.gz XGHNMSDTDVLDPD-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCO1 ZINC000531657482 490969954 /nfs/dbraw/zinc/96/99/54/490969954.db2.gz XGHNMSDTDVLDPD-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000557518949 491380313 /nfs/dbraw/zinc/38/03/13/491380313.db2.gz TWKCXUQYYNDPPE-UHFFFAOYSA-N 1 2 364.402 0.948 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000572686573 491386694 /nfs/dbraw/zinc/38/66/94/491386694.db2.gz RSGAPFIEIZVFLC-JTQLQIEISA-N 1 2 351.363 0.386 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000572686573 491386696 /nfs/dbraw/zinc/38/66/96/491386696.db2.gz RSGAPFIEIZVFLC-JTQLQIEISA-N 1 2 351.363 0.386 20 5 FCBDLO Cc1c(CNc2nc(NCCO)[nH+]c(NC(C)C)n2)cccc1[N+](=O)[O-] ZINC000557681744 491390875 /nfs/dbraw/zinc/39/08/75/491390875.db2.gz ANBPCVNLKAYQPO-UHFFFAOYSA-N 1 2 361.406 0.191 20 5 FCBDLO Cc1c(CNc2nc(NC(C)C)nc(NCCO)[nH+]2)cccc1[N+](=O)[O-] ZINC000557681744 491390877 /nfs/dbraw/zinc/39/08/77/491390877.db2.gz ANBPCVNLKAYQPO-UHFFFAOYSA-N 1 2 361.406 0.191 20 5 FCBDLO Cc1c(CNc2nc(NCCO)nc(NC(C)C)[nH+]2)cccc1[N+](=O)[O-] ZINC000557681744 491390879 /nfs/dbraw/zinc/39/08/79/491390879.db2.gz ANBPCVNLKAYQPO-UHFFFAOYSA-N 1 2 361.406 0.191 20 5 FCBDLO Cn1c[nH+]cc1CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000558718450 491443421 /nfs/dbraw/zinc/44/34/21/491443421.db2.gz UAXHUXWNSRTRHK-UHFFFAOYSA-N 1 2 357.326 0.283 20 5 FCBDLO CNc1nccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000566440500 491443637 /nfs/dbraw/zinc/44/36/37/491443637.db2.gz KBUQIZFCZNRNCE-UONOGXRCSA-N 1 2 363.418 1.405 20 5 FCBDLO CNc1nccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000566440501 491443718 /nfs/dbraw/zinc/44/37/18/491443718.db2.gz KBUQIZFCZNRNCE-ZIAGYGMSSA-N 1 2 363.418 1.405 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@@H]3COCCO3)CC2)c1 ZINC000576199081 491591812 /nfs/dbraw/zinc/59/18/12/491591812.db2.gz LRXROXWGFUVHTQ-CQSZACIVSA-N 1 2 371.415 0.317 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000561405003 491604938 /nfs/dbraw/zinc/60/49/38/491604938.db2.gz SDHAFMVLNDVVDX-GFCCVEGCSA-N 1 2 364.402 0.933 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000561405003 491604941 /nfs/dbraw/zinc/60/49/41/491604941.db2.gz SDHAFMVLNDVVDX-GFCCVEGCSA-N 1 2 364.402 0.933 20 5 FCBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562301793 491665276 /nfs/dbraw/zinc/66/52/76/491665276.db2.gz CQCJFNOGYOGPLU-UHFFFAOYSA-N 1 2 363.370 0.961 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000589496289 491762945 /nfs/dbraw/zinc/76/29/45/491762945.db2.gz GOQIOUAOYSIVQT-ZDUSSCGKSA-N 1 2 371.415 0.895 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c1 ZINC000589496289 491762946 /nfs/dbraw/zinc/76/29/46/491762946.db2.gz GOQIOUAOYSIVQT-ZDUSSCGKSA-N 1 2 371.415 0.895 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000589544893 491763569 /nfs/dbraw/zinc/76/35/69/491763569.db2.gz DTLQFYOBGNNGNY-UHFFFAOYSA-N 1 2 350.375 0.831 20 5 FCBDLO O=C(NC[C@H]1CCC[N@H+](Cc2ncon2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590362474 491774114 /nfs/dbraw/zinc/77/41/14/491774114.db2.gz LXKUHHITBAQVIN-SNVBAGLBSA-N 1 2 362.346 0.720 20 5 FCBDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590362474 491774116 /nfs/dbraw/zinc/77/41/16/491774116.db2.gz LXKUHHITBAQVIN-SNVBAGLBSA-N 1 2 362.346 0.720 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000590762815 491785990 /nfs/dbraw/zinc/78/59/90/491785990.db2.gz FNVDROBPQSWLAK-TXEJJXNPSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000590762815 491785992 /nfs/dbraw/zinc/78/59/92/491785992.db2.gz FNVDROBPQSWLAK-TXEJJXNPSA-N 1 2 373.431 0.679 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000595152879 491890572 /nfs/dbraw/zinc/89/05/72/491890572.db2.gz KXQBZLYVCLXDMT-CQSZACIVSA-N 1 2 362.386 0.775 20 5 FCBDLO O=C1CC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595727936 491950359 /nfs/dbraw/zinc/95/03/59/491950359.db2.gz GKHHURKCXJOPKI-IUODEOHRSA-N 1 2 367.427 0.969 20 5 FCBDLO O=C1CC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595727936 491950360 /nfs/dbraw/zinc/95/03/60/491950360.db2.gz GKHHURKCXJOPKI-IUODEOHRSA-N 1 2 367.427 0.969 20 5 FCBDLO NS(=O)(=O)c1ccc(NCC2([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000596210018 491979468 /nfs/dbraw/zinc/97/94/68/491979468.db2.gz DKSABHIPKXACQT-UHFFFAOYSA-N 1 2 356.404 0.519 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000602760595 491997587 /nfs/dbraw/zinc/99/75/87/491997587.db2.gz YDIHZSNTPVOZJH-GFCCVEGCSA-N 1 2 350.423 0.384 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000602760595 491997588 /nfs/dbraw/zinc/99/75/88/491997588.db2.gz YDIHZSNTPVOZJH-GFCCVEGCSA-N 1 2 350.423 0.384 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597845898 492070521 /nfs/dbraw/zinc/07/05/21/492070521.db2.gz IWSNEDFGSTVMNJ-CYBMUJFWSA-N 1 2 350.379 0.709 20 5 FCBDLO CNc1nccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1[N+](=O)[O-] ZINC000597848553 492070610 /nfs/dbraw/zinc/07/06/10/492070610.db2.gz XDONIQFXWDMGEJ-GFCCVEGCSA-N 1 2 362.390 1.255 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598342572 492095679 /nfs/dbraw/zinc/09/56/79/492095679.db2.gz KZZQNWNZJHJWHO-UHFFFAOYSA-N 1 2 351.407 0.671 20 5 FCBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946283 492126405 /nfs/dbraw/zinc/12/64/05/492126405.db2.gz FQJCCRUTDJDTFS-SNVBAGLBSA-N 1 2 369.337 0.519 20 5 FCBDLO Cc1c(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598944448 492126621 /nfs/dbraw/zinc/12/66/21/492126621.db2.gz NDEFCAMOKLZVEN-VIFPVBQESA-N 1 2 365.371 0.102 20 5 FCBDLO C[C@H](C(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000617751316 492189462 /nfs/dbraw/zinc/18/94/62/492189462.db2.gz HDEKRJISLVRMFP-AWEZNQCLSA-N 1 2 351.403 0.851 20 5 FCBDLO COc1ccc(NC(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000599624797 492194559 /nfs/dbraw/zinc/19/45/59/492194559.db2.gz WRGVOQJDILOACB-CALCHBBNSA-N 1 2 367.402 0.855 20 5 FCBDLO COc1ccc(NC(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC000599624797 492194562 /nfs/dbraw/zinc/19/45/62/492194562.db2.gz WRGVOQJDILOACB-CALCHBBNSA-N 1 2 367.402 0.855 20 5 FCBDLO C[NH+]1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C2 ZINC000618920883 492243559 /nfs/dbraw/zinc/24/35/59/492243559.db2.gz GYTMDOWLMIONDI-UHFFFAOYSA-N 1 2 353.400 0.776 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000619492114 492266132 /nfs/dbraw/zinc/26/61/32/492266132.db2.gz VIMUYMQLPAHEDD-JQWIXIFHSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000619492114 492266134 /nfs/dbraw/zinc/26/61/34/492266134.db2.gz VIMUYMQLPAHEDD-JQWIXIFHSA-N 1 2 359.404 0.601 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600423824 492269121 /nfs/dbraw/zinc/26/91/21/492269121.db2.gz HLSFTNXCEBPMTC-SMDDNHRTSA-N 1 2 350.375 0.160 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600423824 492269124 /nfs/dbraw/zinc/26/91/24/492269124.db2.gz HLSFTNXCEBPMTC-SMDDNHRTSA-N 1 2 350.375 0.160 20 5 FCBDLO O=C(COc1ccccc1[N+](=O)[O-])N(CCO)CC[NH+]1CCOCC1 ZINC000611136600 492279263 /nfs/dbraw/zinc/27/92/63/492279263.db2.gz CAPHJENOLYEHGU-UHFFFAOYSA-N 1 2 353.375 0.127 20 5 FCBDLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556673 492290198 /nfs/dbraw/zinc/29/01/98/492290198.db2.gz JJWMHJSEDUVOHE-CQSZACIVSA-N 1 2 364.402 0.437 20 5 FCBDLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556673 492290199 /nfs/dbraw/zinc/29/01/99/492290199.db2.gz JJWMHJSEDUVOHE-CQSZACIVSA-N 1 2 364.402 0.437 20 5 FCBDLO CC(C)NS(=O)(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284257126 527744472 /nfs/dbraw/zinc/74/44/72/527744472.db2.gz LWLZUCCADXBPDK-UHFFFAOYSA-N 1 2 356.448 0.998 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457275585 536529077 /nfs/dbraw/zinc/52/90/77/536529077.db2.gz WQSVQMBCIUMANZ-FZMZJTMJSA-N 1 2 360.326 0.529 20 5 FCBDLO COc1cccc(C(F)(F)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591766644 546940873 /nfs/dbraw/zinc/94/08/73/546940873.db2.gz RITIBRSUELFXCL-LLVKDONJSA-N 1 2 357.317 0.937 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000592530985 546953500 /nfs/dbraw/zinc/95/35/00/546953500.db2.gz IGTXCGNAABBWNO-VXGBXAGGSA-N 1 2 354.359 0.968 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000592530985 546953504 /nfs/dbraw/zinc/95/35/04/546953504.db2.gz IGTXCGNAABBWNO-VXGBXAGGSA-N 1 2 354.359 0.968 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651348 546985680 /nfs/dbraw/zinc/98/56/80/546985680.db2.gz IJTJUPOVHVTKEZ-CQSZACIVSA-N 1 2 355.416 0.597 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651348 546985687 /nfs/dbraw/zinc/98/56/87/546985687.db2.gz IJTJUPOVHVTKEZ-CQSZACIVSA-N 1 2 355.416 0.597 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594576906 547001477 /nfs/dbraw/zinc/00/14/77/547001477.db2.gz GLOKRVONYBPERO-LLVKDONJSA-N 1 2 350.379 0.866 20 5 FCBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000553611677 547330662 /nfs/dbraw/zinc/33/06/62/547330662.db2.gz JHNKLEZPNIFLRS-UHFFFAOYSA-N 1 2 352.391 0.546 20 5 FCBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000553611677 547330665 /nfs/dbraw/zinc/33/06/65/547330665.db2.gz JHNKLEZPNIFLRS-UHFFFAOYSA-N 1 2 352.391 0.546 20 5 FCBDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000737602752 598340387 /nfs/dbraw/zinc/34/03/87/598340387.db2.gz SPHKJWXOEGFYET-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO CN(CCCN1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736865549 598675056 /nfs/dbraw/zinc/67/50/56/598675056.db2.gz ZFZKULZLPJDHEO-UHFFFAOYSA-N 1 2 361.410 0.244 20 5 FCBDLO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826034675 607594222 /nfs/dbraw/zinc/59/42/22/607594222.db2.gz VLKDPPMEYYPMRJ-SECBINFHSA-N 1 2 367.391 0.147 20 5 FCBDLO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826034675 607594224 /nfs/dbraw/zinc/59/42/24/607594224.db2.gz VLKDPPMEYYPMRJ-SECBINFHSA-N 1 2 367.391 0.147 20 5 FCBDLO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000820769530 606225822 /nfs/dbraw/zinc/22/58/22/606225822.db2.gz VIPIVLGRUKVGDW-ABAIWWIYSA-N 1 2 359.390 0.932 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001029304755 665012301 /nfs/dbraw/zinc/01/23/01/665012301.db2.gz IYCOLZOEZHOITL-LXTVHRRPSA-N 1 2 371.459 0.152 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001029304755 665012308 /nfs/dbraw/zinc/01/23/08/665012308.db2.gz IYCOLZOEZHOITL-LXTVHRRPSA-N 1 2 371.459 0.152 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc(Cl)cn1 ZINC001029304754 665012366 /nfs/dbraw/zinc/01/23/66/665012366.db2.gz IWRKMGNVJYSCCQ-XJFOESAGSA-N 1 2 353.810 0.877 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc(Cl)cn1 ZINC001029304754 665012367 /nfs/dbraw/zinc/01/23/67/665012367.db2.gz IWRKMGNVJYSCCQ-XJFOESAGSA-N 1 2 353.810 0.877 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1F ZINC000919982913 667214592 /nfs/dbraw/zinc/21/45/92/667214592.db2.gz XWEMRKLRGMDHDH-SMDDNHRTSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cc1F ZINC000919982913 667214593 /nfs/dbraw/zinc/21/45/93/667214593.db2.gz XWEMRKLRGMDHDH-SMDDNHRTSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)cc1F ZINC000919982912 667214682 /nfs/dbraw/zinc/21/46/82/667214682.db2.gz XWEMRKLRGMDHDH-RISCZKNCSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cc1F ZINC000919982912 667214684 /nfs/dbraw/zinc/21/46/84/667214684.db2.gz XWEMRKLRGMDHDH-RISCZKNCSA-N 1 2 374.438 0.955 20 5 FCBDLO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000920011989 667216019 /nfs/dbraw/zinc/21/60/19/667216019.db2.gz YTRSOKHAXJIPFY-GXFFZTMASA-N 1 2 360.411 0.647 20 5 FCBDLO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000920011989 667216020 /nfs/dbraw/zinc/21/60/20/667216020.db2.gz YTRSOKHAXJIPFY-GXFFZTMASA-N 1 2 360.411 0.647 20 5 FCBDLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCCCC1 ZINC001031660805 667239494 /nfs/dbraw/zinc/23/94/94/667239494.db2.gz SIPNZCIAUKQVCP-HUUCEWRRSA-N 1 2 352.435 0.539 20 5 FCBDLO COc1coc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001002789612 667561235 /nfs/dbraw/zinc/56/12/35/667561235.db2.gz VXWLQELWJGRHLM-CHWSQXEVSA-N 1 2 351.359 0.394 20 5 FCBDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC001002792155 667562869 /nfs/dbraw/zinc/56/28/69/667562869.db2.gz LEVHXQGRXIAARX-HUUCEWRRSA-N 1 2 352.435 0.635 20 5 FCBDLO Cc1c(C(=O)OCc2cc[nH+]c(N)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000791911784 668896110 /nfs/dbraw/zinc/89/61/10/668896110.db2.gz LQVKAJPYDUBKRI-UHFFFAOYSA-N 1 2 366.355 0.885 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000840485684 669379270 /nfs/dbraw/zinc/37/92/70/669379270.db2.gz CWYSWCOIKVRUGW-UHFFFAOYSA-N 1 2 352.391 0.596 20 5 FCBDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000842962940 670758445 /nfs/dbraw/zinc/75/84/45/670758445.db2.gz BEFMUQGTFVFSBJ-TZMCWYRMSA-N 1 2 356.379 0.460 20 5 FCBDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000842962940 670758449 /nfs/dbraw/zinc/75/84/49/670758449.db2.gz BEFMUQGTFVFSBJ-TZMCWYRMSA-N 1 2 356.379 0.460 20 5 FCBDLO NS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000859958785 671857975 /nfs/dbraw/zinc/85/79/75/671857975.db2.gz YXEPEAHRAFXPSX-UHFFFAOYSA-N 1 2 359.364 0.261 20 5 FCBDLO CCc1nnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C ZINC001001395075 676070800 /nfs/dbraw/zinc/07/08/00/676070800.db2.gz JGCQIDMAJWIFNG-CHWSQXEVSA-N 1 2 350.423 0.371 20 5 FCBDLO CCn1c(C)nnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001396808 676070881 /nfs/dbraw/zinc/07/08/81/676070881.db2.gz SGRLOJMJBNIOMU-ZIAGYGMSSA-N 1 2 350.423 0.600 20 5 FCBDLO Cc1csc(=O)n1CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544056 675412612 /nfs/dbraw/zinc/41/26/12/675412612.db2.gz JNYZFWQEWGKZCK-XJFOESAGSA-N 1 2 366.443 0.559 20 5 FCBDLO Cc1csc(=O)n1CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017544056 675412616 /nfs/dbraw/zinc/41/26/16/675412616.db2.gz JNYZFWQEWGKZCK-XJFOESAGSA-N 1 2 366.443 0.559 20 5 FCBDLO CCn1nnc(C)c1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436720 675653741 /nfs/dbraw/zinc/65/37/41/675653741.db2.gz VGUZEQPVSWNCNV-CHWSQXEVSA-N 1 2 350.423 0.742 20 5 FCBDLO COC[C@@]1(C)NC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865813 675710199 /nfs/dbraw/zinc/71/01/99/675710199.db2.gz KLFVXKGAQSBBPI-MRXNPFEDSA-N 1 2 350.375 0.984 20 5 FCBDLO COC[C@@]1(C)NC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865813 675710200 /nfs/dbraw/zinc/71/02/00/675710200.db2.gz KLFVXKGAQSBBPI-MRXNPFEDSA-N 1 2 350.375 0.984 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000784917962 1167797695 /nfs/dbraw/zinc/79/76/95/1167797695.db2.gz JQNLXNYVZNWVER-CYBMUJFWSA-N 1 2 365.386 0.979 20 5 FCBDLO CN(CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988581359 1192309096 /nfs/dbraw/zinc/30/90/96/1192309096.db2.gz YOWNWFKRWPXTEU-HUUCEWRRSA-N 1 2 363.418 0.325 20 5 FCBDLO O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000973254267 1182140864 /nfs/dbraw/zinc/14/08/64/1182140864.db2.gz JBRBJPQPYARMHT-NLRBGTRBSA-N 1 2 370.369 0.310 20 5 FCBDLO CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC001025776058 1182831872 /nfs/dbraw/zinc/83/18/72/1182831872.db2.gz VDDXOBIHUNNSQG-GAGVYUBLSA-N 1 2 358.398 0.361 20 5 FCBDLO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC001025776058 1182831875 /nfs/dbraw/zinc/83/18/75/1182831875.db2.gz VDDXOBIHUNNSQG-GAGVYUBLSA-N 1 2 358.398 0.361 20 5 FCBDLO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896570135 1190095624 /nfs/dbraw/zinc/09/56/24/1190095624.db2.gz JVRNDMRAXJWTBY-BLLLJJGKSA-N 1 2 360.418 0.695 20 5 FCBDLO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896570135 1190095631 /nfs/dbraw/zinc/09/56/31/1190095631.db2.gz JVRNDMRAXJWTBY-BLLLJJGKSA-N 1 2 360.418 0.695 20 5 FCBDLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594552797 1196725251 /nfs/dbraw/zinc/72/52/51/1196725251.db2.gz KGDZNIIGJVMNIB-UHFFFAOYSA-N 1 2 358.358 0.938 20 5 FCBDLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594552797 1196725256 /nfs/dbraw/zinc/72/52/56/1196725256.db2.gz KGDZNIIGJVMNIB-UHFFFAOYSA-N 1 2 358.358 0.938 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000592929349 1196741772 /nfs/dbraw/zinc/74/17/72/1196741772.db2.gz NMZYOJHGKALEQB-QWHCGFSZSA-N 1 2 374.353 0.777 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000592929348 1196742209 /nfs/dbraw/zinc/74/22/09/1196742209.db2.gz NMZYOJHGKALEQB-OLZOCXBDSA-N 1 2 374.353 0.777 20 5 FCBDLO CN(C)C(=O)COCc1nnc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026369 1199044442 /nfs/dbraw/zinc/04/44/42/1199044442.db2.gz LLJDPEJPKOUTFR-QWHCGFSZSA-N 1 2 366.422 0.144 20 5 FCBDLO CN(C)C(=O)COCc1nnc2n1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026369 1199044453 /nfs/dbraw/zinc/04/44/53/1199044453.db2.gz LLJDPEJPKOUTFR-QWHCGFSZSA-N 1 2 366.422 0.144 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000805476898 1201545928 /nfs/dbraw/zinc/54/59/28/1201545928.db2.gz CHTQNVCRDFQXKA-GJZGRUSLSA-N 1 2 363.370 0.964 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000805476898 1201545933 /nfs/dbraw/zinc/54/59/33/1201545933.db2.gz CHTQNVCRDFQXKA-GJZGRUSLSA-N 1 2 363.370 0.964 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000807281771 1202817017 /nfs/dbraw/zinc/81/70/17/1202817017.db2.gz VUWHNHCORKBMFB-ZDUSSCGKSA-N 1 2 362.342 0.837 20 5 FCBDLO Cc1cccc(C[NH2+]Cc2cn(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nn2)c1 ZINC001093318053 1206075195 /nfs/dbraw/zinc/07/51/95/1206075195.db2.gz AWOUEUNCVAJYEY-IAGOWNOFSA-N 1 2 370.413 0.925 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2C[NH+](CCOC3CCC3)C2)CC1 ZINC001093536933 1206091342 /nfs/dbraw/zinc/09/13/42/1206091342.db2.gz YPEFPNLGJJXXSX-IAGOWNOFSA-N 1 2 367.446 0.913 20 5 FCBDLO C[N@H+](C[C@@H]1COCCO1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853556649 1209598617 /nfs/dbraw/zinc/59/86/17/1209598617.db2.gz AYEGKWGNXLGRJX-CQSZACIVSA-N 1 2 364.358 0.668 20 5 FCBDLO C[N@@H+](C[C@@H]1COCCO1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000853556649 1209598624 /nfs/dbraw/zinc/59/86/24/1209598624.db2.gz AYEGKWGNXLGRJX-CQSZACIVSA-N 1 2 364.358 0.668 20 5 FCBDLO Cc1nn(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000088506175 1213032325 /nfs/dbraw/zinc/03/23/25/1213032325.db2.gz HOWJMDWLRWOORZ-OAHLLOKOSA-N 1 2 364.450 0.994 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000956367002 1213187496 /nfs/dbraw/zinc/18/74/96/1213187496.db2.gz RJPVYGKGIQPZCK-ZIAGYGMSSA-N 1 2 363.418 0.515 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010666881 1213806788 /nfs/dbraw/zinc/80/67/88/1213806788.db2.gz KJICZHHIKWDDDH-ZIAGYGMSSA-N 1 2 361.402 0.308 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000967946954 1215265487 /nfs/dbraw/zinc/26/54/87/1215265487.db2.gz SSQQPVOOZILXQQ-ZIAGYGMSSA-N 1 2 363.418 0.651 20 5 FCBDLO CC1CCN(C(=O)C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000668077 1216099484 /nfs/dbraw/zinc/09/94/84/1216099484.db2.gz BFFXBDPSKNUGDD-HZPDHXFCSA-N 1 2 364.446 0.658 20 5 FCBDLO CC1CCN(C(=O)C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000668077 1216099486 /nfs/dbraw/zinc/09/94/86/1216099486.db2.gz BFFXBDPSKNUGDD-HZPDHXFCSA-N 1 2 364.446 0.658 20 5 FCBDLO CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C ZINC001001395392 1216187233 /nfs/dbraw/zinc/18/72/33/1216187233.db2.gz KZPSLMQQGQKORU-ZIAGYGMSSA-N 1 2 364.450 0.932 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1cc3n(n1)CCC3)CC2 ZINC001050517408 1216328543 /nfs/dbraw/zinc/32/85/43/1216328543.db2.gz SFRHMKNJXDKQEH-HZPDHXFCSA-N 1 2 359.430 0.919 20 5 FCBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000800613859 1217989855 /nfs/dbraw/zinc/98/98/55/1217989855.db2.gz KPXQSUQXQICNGQ-JTQLQIEISA-N 1 2 368.365 0.506 20 5 FCBDLO CC(C)c1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1C ZINC001048814574 1218319570 /nfs/dbraw/zinc/31/95/70/1218319570.db2.gz TVLCDFMXJZWFMT-XJFOESAGSA-N 1 2 362.434 0.494 20 5 FCBDLO CC(C)c1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1C ZINC001048814574 1218319575 /nfs/dbraw/zinc/31/95/75/1218319575.db2.gz TVLCDFMXJZWFMT-XJFOESAGSA-N 1 2 362.434 0.494 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CC2=CCCCC2)CC1 ZINC001070963360 1219584345 /nfs/dbraw/zinc/58/43/45/1219584345.db2.gz NQAVSSFGELPRGF-HZPDHXFCSA-N 1 2 364.446 0.803 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CC2=CCCCC2)CC1 ZINC001070963360 1219584348 /nfs/dbraw/zinc/58/43/48/1219584348.db2.gz NQAVSSFGELPRGF-HZPDHXFCSA-N 1 2 364.446 0.803 20 5 FCBDLO COc1ncc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)n1 ZINC001072721593 1219619806 /nfs/dbraw/zinc/61/98/06/1219619806.db2.gz ZJLBRYCIYXUOGJ-ZIAGYGMSSA-N 1 2 361.402 0.493 20 5 FCBDLO COc1ncc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)n1 ZINC001072721593 1219619807 /nfs/dbraw/zinc/61/98/07/1219619807.db2.gz ZJLBRYCIYXUOGJ-ZIAGYGMSSA-N 1 2 361.402 0.493 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001115894346 1221324562 /nfs/dbraw/zinc/32/45/62/1221324562.db2.gz CHGWNACKRXAZNB-UHFFFAOYSA-N 1 2 363.418 0.921 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001115894346 1221324567 /nfs/dbraw/zinc/32/45/67/1221324567.db2.gz CHGWNACKRXAZNB-UHFFFAOYSA-N 1 2 363.418 0.921 20 5 FCBDLO Nc1cc(N2CC([NH+]3CCN(c4ccccn4)CC3)C2)ncc1[N+](=O)[O-] ZINC001154648727 1223014749 /nfs/dbraw/zinc/01/47/49/1223014749.db2.gz QYNDVHZGDAWJQM-UHFFFAOYSA-N 1 2 355.402 0.978 20 5 FCBDLO O=C(C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001160098043 1223145556 /nfs/dbraw/zinc/14/55/56/1223145556.db2.gz QNECVTSPVCNVCB-HZPDHXFCSA-N 1 2 364.446 0.849 20 5 FCBDLO O=C(C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001160098043 1223145560 /nfs/dbraw/zinc/14/55/60/1223145560.db2.gz QNECVTSPVCNVCB-HZPDHXFCSA-N 1 2 364.446 0.849 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001160692053 1223168931 /nfs/dbraw/zinc/16/89/31/1223168931.db2.gz BHJYDYUTICEUAY-VIFPVBQESA-N 1 2 366.334 0.332 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001164494310 1223239224 /nfs/dbraw/zinc/23/92/24/1223239224.db2.gz FDSSEAKDWXTPTP-VXGBXAGGSA-N 1 2 365.438 0.469 20 5 FCBDLO COC(=O)CNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194487 1245394161 /nfs/dbraw/zinc/39/41/61/1245394161.db2.gz OWRMDONSNFMGIJ-UHFFFAOYSA-N 1 2 362.298 0.227 20 5 FCBDLO O=C(Cn1c[nH+]c2c1CCCC2)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001001805777 1252351779 /nfs/dbraw/zinc/35/17/79/1252351779.db2.gz SAYRNICGSWDYJF-IUODEOHRSA-N 1 2 361.402 0.002 20 5 FCBDLO CN(C)C(=O)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031660124 1253881460 /nfs/dbraw/zinc/88/14/60/1253881460.db2.gz AWZXQQBERNQPEX-HZPDHXFCSA-N 1 2 360.414 0.602 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034644648 1253997562 /nfs/dbraw/zinc/99/75/62/1253997562.db2.gz KCRCIDYWYAOWQW-FDYHWXHSSA-N 1 2 365.438 0.610 20 5 FCBDLO CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080015453 1255708792 /nfs/dbraw/zinc/70/87/92/1255708792.db2.gz LPJIWXXCGWNVHZ-ZIAGYGMSSA-N 1 2 363.418 0.651 20 5 FCBDLO O=C(NCCn1cc[nH+]c1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001321404558 1263954280 /nfs/dbraw/zinc/95/42/80/1263954280.db2.gz USZJMCZPCNBRKU-UHFFFAOYSA-N 1 2 359.342 0.197 20 5 FCBDLO CC(=O)N(C)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001588800600 1282703417 /nfs/dbraw/zinc/70/34/17/1282703417.db2.gz QVARHOXOTIQXNB-UHFFFAOYSA-N 1 2 374.405 0.375 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@@H](C)C[NH2+]1 ZINC001590311660 1283455222 /nfs/dbraw/zinc/45/52/22/1283455222.db2.gz DSPHJLOYXOBYGF-BDAKNGLRSA-N 1 2 367.391 0.146 20 5 FCBDLO CN(CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001591106052 1284179980 /nfs/dbraw/zinc/17/99/80/1284179980.db2.gz MIBRWCKZEKVNBH-UHFFFAOYSA-N 1 2 371.361 0.611 20 5 FCBDLO Cn1cc(C[N@H+](C)C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC001591151321 1284221002 /nfs/dbraw/zinc/22/10/02/1284221002.db2.gz UTMABPRYAIRBIT-CYBMUJFWSA-N 1 2 358.362 0.674 20 5 FCBDLO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])n1 ZINC001591151321 1284221006 /nfs/dbraw/zinc/22/10/06/1284221006.db2.gz UTMABPRYAIRBIT-CYBMUJFWSA-N 1 2 358.362 0.674 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC001593466792 1286170158 /nfs/dbraw/zinc/17/01/58/1286170158.db2.gz HTWBFSQFWMJJGG-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC(C[NH+]2CCOCC2)C1 ZINC001593487826 1286176305 /nfs/dbraw/zinc/17/63/05/1286176305.db2.gz NCHCDSNWMIHWSI-UHFFFAOYSA-N 1 2 351.392 0.605 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)n1 ZINC001593487447 1286176594 /nfs/dbraw/zinc/17/65/94/1286176594.db2.gz XZAABSQKSBHRBF-UHFFFAOYSA-N 1 2 370.377 0.189 20 5 FCBDLO O=[N+]([O-])c1ccc(-c2nn[nH]n2)c(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC001607080294 1288650040 /nfs/dbraw/zinc/65/00/40/1288650040.db2.gz SNIWNEHDJXPJJR-UHFFFAOYSA-N 1 2 373.354 0.921 20 5 FCBDLO CN(CC[N@H+](C)Cc1cnnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699001148 1289542652 /nfs/dbraw/zinc/54/26/52/1289542652.db2.gz KFZSJJUFANIMKH-HZPDHXFCSA-N 1 2 358.402 0.823 20 5 FCBDLO CN(CC[N@@H+](C)Cc1cnnn1-c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699001148 1289542659 /nfs/dbraw/zinc/54/26/59/1289542659.db2.gz KFZSJJUFANIMKH-HZPDHXFCSA-N 1 2 358.402 0.823 20 5 FCBDLO Cn1c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc2ccccc2c1=O ZINC001699651898 1289559314 /nfs/dbraw/zinc/55/93/14/1289559314.db2.gz WXSDLZRTBJLESJ-TZMCWYRMSA-N 1 2 371.397 0.337 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)NCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)no1 ZINC001688493002 1294500526 /nfs/dbraw/zinc/50/05/26/1294500526.db2.gz HJWYPUBWSUDCPW-TZMCWYRMSA-N 1 2 365.390 0.122 20 5 FCBDLO Cc1c[nH+]cn1CC(=O)NCC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001689763525 1294837091 /nfs/dbraw/zinc/83/70/91/1294837091.db2.gz WJZURDUIHFVSAE-ZIAGYGMSSA-N 1 2 363.418 0.602 20 5 FCBDLO O=C(NCCCCC[NH+]1CCN(C(=O)C(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001079160796 839489547 /nfs/dbraw/zinc/48/95/47/839489547.db2.gz KDBGOMHGTKJLHD-VXGBXAGGSA-N 1 2 362.377 0.347 20 5 FCBDLO CC(C)Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001086084504 842119023 /nfs/dbraw/zinc/11/90/23/842119023.db2.gz UGDURSYXMDTZQT-YVECIDJPSA-N 1 2 351.407 0.918 20 5 FCBDLO Cc1csc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001098364451 843910031 /nfs/dbraw/zinc/91/00/31/843910031.db2.gz VSGQAGGHMCDAPW-ZIAGYGMSSA-N 1 2 368.459 0.902 20 5 FCBDLO Cc1csc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001098364451 843910036 /nfs/dbraw/zinc/91/00/36/843910036.db2.gz VSGQAGGHMCDAPW-ZIAGYGMSSA-N 1 2 368.459 0.902 20 5 FCBDLO Nc1c(C(=O)N2CC[NH+](CCO)CC2)cc(Br)cc1[N+](=O)[O-] ZINC001116934737 846812612 /nfs/dbraw/zinc/81/26/12/846812612.db2.gz BNLCWRRAHPIWCM-UHFFFAOYSA-N 1 2 373.207 0.690 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CCCCCF)CC1 ZINC001131353822 849097044 /nfs/dbraw/zinc/09/70/44/849097044.db2.gz FGXYFAVQMCNFKH-ZIAGYGMSSA-N 1 2 358.414 0.442 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CCCCCF)CC1 ZINC001131353822 849097054 /nfs/dbraw/zinc/09/70/54/849097054.db2.gz FGXYFAVQMCNFKH-ZIAGYGMSSA-N 1 2 358.414 0.442 20 5 FCBDLO CCC(C)(C)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506622 849582956 /nfs/dbraw/zinc/58/29/56/849582956.db2.gz HMTQIKHFQBFTPE-CHWSQXEVSA-N 1 2 352.435 0.491 20 5 FCBDLO CCC(C)(C)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506622 849582960 /nfs/dbraw/zinc/58/29/60/849582960.db2.gz HMTQIKHFQBFTPE-CHWSQXEVSA-N 1 2 352.435 0.491 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC001156240016 849897883 /nfs/dbraw/zinc/89/78/83/849897883.db2.gz FSAFSEJSGBXHFH-BQBZGAKWSA-N 1 2 373.753 0.530 20 5 FCBDLO CCCN(CCC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761501 852823465 /nfs/dbraw/zinc/82/34/65/852823465.db2.gz NTXPLOPVXBCZIS-HUUCEWRRSA-N 1 2 354.451 0.835 20 5 FCBDLO CCCN(CCC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761501 852823469 /nfs/dbraw/zinc/82/34/69/852823469.db2.gz NTXPLOPVXBCZIS-HUUCEWRRSA-N 1 2 354.451 0.835 20 5 FCBDLO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@@H](C)C[NH+]1CCOCC1 ZINC001226307037 857096565 /nfs/dbraw/zinc/09/65/65/857096565.db2.gz DEODYYRBLJVBTD-JTQLQIEISA-N 1 2 355.347 0.972 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001308060542 866695737 /nfs/dbraw/zinc/69/57/37/866695737.db2.gz VVPKAWQLJMEVMH-VXGBXAGGSA-N 1 2 370.431 0.793 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001308060542 866695747 /nfs/dbraw/zinc/69/57/47/866695747.db2.gz VVPKAWQLJMEVMH-VXGBXAGGSA-N 1 2 370.431 0.793 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001327086361 870660315 /nfs/dbraw/zinc/66/03/15/870660315.db2.gz ATVUQTSQTJVNMF-CQSZACIVSA-N 1 2 350.375 0.760 20 5 FCBDLO CN1CC[NH+](C(C)(C)CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001344096555 870742392 /nfs/dbraw/zinc/74/23/92/870742392.db2.gz TVVIVRNJEWRVMO-HNNXBMFYSA-N 1 2 350.419 0.770 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001330648098 872747720 /nfs/dbraw/zinc/74/77/20/872747720.db2.gz FAHKZVUMQREZNV-UHFFFAOYSA-N 1 2 370.431 0.615 20 5 FCBDLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000291552218 214042203 /nfs/dbraw/zinc/04/22/03/214042203.db2.gz MJEXSSCFAHUDCT-UHFFFAOYSA-N 1 2 373.391 0.521 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000265637552 210185202 /nfs/dbraw/zinc/18/52/02/210185202.db2.gz HHUKMPBFAJVTTR-NSHDSACASA-N 1 2 361.395 0.981 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000265637550 210184554 /nfs/dbraw/zinc/18/45/54/210184554.db2.gz HHUKMPBFAJVTTR-LLVKDONJSA-N 1 2 361.395 0.981 20 5 FCBDLO CNC(=O)NC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000412058017 529882001 /nfs/dbraw/zinc/88/20/01/529882001.db2.gz ZTRAPUJDMABNQP-UHFFFAOYSA-N 1 2 361.402 0.877 20 5 FCBDLO CCOC(=O)c1ccnc(NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000265569686 210169634 /nfs/dbraw/zinc/16/96/34/210169634.db2.gz LCRWLGPOVDDXNR-UHFFFAOYSA-N 1 2 365.390 0.743 20 5 FCBDLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000265346081 210102567 /nfs/dbraw/zinc/10/25/67/210102567.db2.gz ZUGLIJBTHNRYMQ-LBPRGKRZSA-N 1 2 368.415 0.107 20 5 FCBDLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000265346081 210102569 /nfs/dbraw/zinc/10/25/69/210102569.db2.gz ZUGLIJBTHNRYMQ-LBPRGKRZSA-N 1 2 368.415 0.107 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265032988 210043037 /nfs/dbraw/zinc/04/30/37/210043037.db2.gz LGRYQVGQHDESMZ-LLVKDONJSA-N 1 2 356.404 0.534 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000265032988 210043039 /nfs/dbraw/zinc/04/30/39/210043039.db2.gz LGRYQVGQHDESMZ-LLVKDONJSA-N 1 2 356.404 0.534 20 5 FCBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000332495410 215162408 /nfs/dbraw/zinc/16/24/08/215162408.db2.gz GUJMTQWCCLLQMP-AWEZNQCLSA-N 1 2 364.450 0.847 20 5 FCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285752289 213389844 /nfs/dbraw/zinc/38/98/44/213389844.db2.gz QZCRRWBHJIHCOI-DOMZBBRYSA-N 1 2 362.386 0.855 20 5 FCBDLO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284682034 213196436 /nfs/dbraw/zinc/19/64/36/213196436.db2.gz OEYOPLVCIYLAFW-JKSUJKDBSA-N 1 2 369.443 0.872 20 5 FCBDLO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284682034 213196439 /nfs/dbraw/zinc/19/64/39/213196439.db2.gz OEYOPLVCIYLAFW-JKSUJKDBSA-N 1 2 369.443 0.872 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413855180 237389490 /nfs/dbraw/zinc/38/94/90/237389490.db2.gz NOMKGOAELRRZCT-GLQYFDAESA-N 1 2 362.386 0.255 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413855180 237389503 /nfs/dbraw/zinc/38/95/03/237389503.db2.gz NOMKGOAELRRZCT-GLQYFDAESA-N 1 2 362.386 0.255 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246326712 209385119 /nfs/dbraw/zinc/38/51/19/209385119.db2.gz ZHRAQVYHSOQGRM-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246326712 209385121 /nfs/dbraw/zinc/38/51/21/209385121.db2.gz ZHRAQVYHSOQGRM-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000193983595 209320682 /nfs/dbraw/zinc/32/06/82/209320682.db2.gz CGOQSUJQIOOGGK-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000193983595 209320683 /nfs/dbraw/zinc/32/06/83/209320683.db2.gz CGOQSUJQIOOGGK-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000189462447 209252803 /nfs/dbraw/zinc/25/28/03/209252803.db2.gz QKUVTOIDUFOELP-CYBMUJFWSA-N 1 2 363.330 0.824 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189086640 209245220 /nfs/dbraw/zinc/24/52/20/209245220.db2.gz SXMLXILFEDQIOX-UONOGXRCSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189086640 209245221 /nfs/dbraw/zinc/24/52/21/209245221.db2.gz SXMLXILFEDQIOX-UONOGXRCSA-N 1 2 371.459 0.854 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000276795966 212290465 /nfs/dbraw/zinc/29/04/65/212290465.db2.gz KCFRLAMBEFLEGY-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000276795966 212290467 /nfs/dbraw/zinc/29/04/67/212290467.db2.gz KCFRLAMBEFLEGY-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276668162 212274724 /nfs/dbraw/zinc/27/47/24/212274724.db2.gz UOPFRUXAZFXBOK-TZMCWYRMSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276668162 212274727 /nfs/dbraw/zinc/27/47/27/212274727.db2.gz UOPFRUXAZFXBOK-TZMCWYRMSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276668160 212274820 /nfs/dbraw/zinc/27/48/20/212274820.db2.gz UOPFRUXAZFXBOK-JSGCOSHPSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276668160 212274823 /nfs/dbraw/zinc/27/48/23/212274823.db2.gz UOPFRUXAZFXBOK-JSGCOSHPSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000276583378 212259358 /nfs/dbraw/zinc/25/93/58/212259358.db2.gz JSZQIQIPRXVCIV-DGCLKSJQSA-N 1 2 367.358 0.540 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000276583378 212259362 /nfs/dbraw/zinc/25/93/62/212259362.db2.gz JSZQIQIPRXVCIV-DGCLKSJQSA-N 1 2 367.358 0.540 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000185846678 209181251 /nfs/dbraw/zinc/18/12/51/209181251.db2.gz HKIMVHSZBUNZPD-ZDUSSCGKSA-N 1 2 356.448 0.757 20 5 FCBDLO COCCN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000275557543 212050986 /nfs/dbraw/zinc/05/09/86/212050986.db2.gz DHUOEJSTZWNASI-UHFFFAOYSA-N 1 2 368.365 0.853 20 5 FCBDLO COCCN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000275557543 212050988 /nfs/dbraw/zinc/05/09/88/212050988.db2.gz DHUOEJSTZWNASI-UHFFFAOYSA-N 1 2 368.365 0.853 20 5 FCBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000373384041 217013449 /nfs/dbraw/zinc/01/34/49/217013449.db2.gz PIPOQBCAPVJABT-JKSUJKDBSA-N 1 2 369.443 0.956 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275310528 212005762 /nfs/dbraw/zinc/00/57/62/212005762.db2.gz BXCYZMBMOJERAN-VXGBXAGGSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000275310528 212005766 /nfs/dbraw/zinc/00/57/66/212005766.db2.gz BXCYZMBMOJERAN-VXGBXAGGSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000376201221 217368408 /nfs/dbraw/zinc/36/84/08/217368408.db2.gz VOFBKUWKTMVUSM-VXGBXAGGSA-N 1 2 370.431 0.542 20 5 FCBDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000376200854 217368484 /nfs/dbraw/zinc/36/84/84/217368484.db2.gz RXUPRTIQNZEIGQ-MGPQQGTHSA-N 1 2 368.434 0.805 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000419345951 246108362 /nfs/dbraw/zinc/10/83/62/246108362.db2.gz LWUZKGVPAMHTOK-ZDUSSCGKSA-N 1 2 351.359 0.727 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000419345951 246108365 /nfs/dbraw/zinc/10/83/65/246108365.db2.gz LWUZKGVPAMHTOK-ZDUSSCGKSA-N 1 2 351.359 0.727 20 5 FCBDLO CCn1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000435798665 248019924 /nfs/dbraw/zinc/01/99/24/248019924.db2.gz JMYWACPQRVPBBO-SNVBAGLBSA-N 1 2 357.392 0.985 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443235353 248313940 /nfs/dbraw/zinc/31/39/40/248313940.db2.gz CFCKDYAEAOWBFN-OAHLLOKOSA-N 1 2 373.431 0.265 20 5 FCBDLO C[C@@](O)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000443251912 248316139 /nfs/dbraw/zinc/31/61/39/248316139.db2.gz PBWLKQHACUOPLM-OAHLLOKOSA-N 1 2 373.431 0.097 20 5 FCBDLO COc1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1[N+](=O)[O-] ZINC000444263985 248353489 /nfs/dbraw/zinc/35/34/89/248353489.db2.gz YTSSKYNJGDAQDL-UHFFFAOYSA-N 1 2 360.374 0.653 20 5 FCBDLO C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000270864535 211286549 /nfs/dbraw/zinc/28/65/49/211286549.db2.gz MDSGPYYQCQYJKO-GFCCVEGCSA-N 1 2 373.369 0.446 20 5 FCBDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000470118497 250028274 /nfs/dbraw/zinc/02/82/74/250028274.db2.gz YSWBYSYSLZYSHT-CYBMUJFWSA-N 1 2 369.353 0.384 20 5 FCBDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000470118497 250028275 /nfs/dbraw/zinc/02/82/75/250028275.db2.gz YSWBYSYSLZYSHT-CYBMUJFWSA-N 1 2 369.353 0.384 20 5 FCBDLO O=C(CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])N1CCOCC1 ZINC000472350420 250146111 /nfs/dbraw/zinc/14/61/11/250146111.db2.gz UBNOTNZXPIUCOY-UHFFFAOYSA-N 1 2 364.402 0.698 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472640275 250169246 /nfs/dbraw/zinc/16/92/46/250169246.db2.gz WTVWUSQBMWNKTK-JTQLQIEISA-N 1 2 354.338 0.509 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472640275 250169254 /nfs/dbraw/zinc/16/92/54/250169254.db2.gz WTVWUSQBMWNKTK-JTQLQIEISA-N 1 2 354.338 0.509 20 5 FCBDLO C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc([N+](=O)[O-])n3)c[nH+]2)CCO1 ZINC000481651489 250347262 /nfs/dbraw/zinc/34/72/62/250347262.db2.gz BEZAXTHRSYKOSG-NSHDSACASA-N 1 2 361.362 0.123 20 5 FCBDLO Nc1nsc(N2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000269630431 211027998 /nfs/dbraw/zinc/02/79/98/211027998.db2.gz FIQNTDFIZKCNLE-GFCCVEGCSA-N 1 2 350.404 0.884 20 5 FCBDLO C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCN(C)CC1 ZINC000101627965 208165463 /nfs/dbraw/zinc/16/54/63/208165463.db2.gz LULXZXKNUKISGO-HNNXBMFYSA-N 1 2 361.446 0.879 20 5 FCBDLO CCOCCN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106105723 208209164 /nfs/dbraw/zinc/20/91/64/208209164.db2.gz VGNQOYKZANXPLA-MRXNPFEDSA-N 1 2 353.419 0.989 20 5 FCBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000109317493 208257660 /nfs/dbraw/zinc/25/76/60/208257660.db2.gz FLTHQCUGUVSWII-UHFFFAOYSA-N 1 2 363.418 0.601 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000109824996 208262893 /nfs/dbraw/zinc/26/28/93/208262893.db2.gz XFRXNYACKBBCPJ-UHFFFAOYSA-N 1 2 351.388 0.824 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000117106894 208341629 /nfs/dbraw/zinc/34/16/29/208341629.db2.gz ZONMFOTUGVZVEN-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c([N+](=O)[O-])c1 ZINC000262086485 229298424 /nfs/dbraw/zinc/29/84/24/229298424.db2.gz UHLYOENIDCIVTO-CYBMUJFWSA-N 1 2 365.415 0.972 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000186821485 533694014 /nfs/dbraw/zinc/69/40/14/533694014.db2.gz ROFVRRZOVYKFBP-GFCCVEGCSA-N 1 2 360.374 0.314 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000521330685 484462749 /nfs/dbraw/zinc/46/27/49/484462749.db2.gz YYRWUAZTHKFSJM-UHFFFAOYSA-N 1 2 363.378 0.267 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279249472 488927080 /nfs/dbraw/zinc/92/70/80/488927080.db2.gz RMTGEYDQESYHKU-UHFFFAOYSA-N 1 2 367.381 0.600 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279249472 488927082 /nfs/dbraw/zinc/92/70/82/488927082.db2.gz RMTGEYDQESYHKU-UHFFFAOYSA-N 1 2 367.381 0.600 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000279389834 488938119 /nfs/dbraw/zinc/93/81/19/488938119.db2.gz VDKUCXKHYXHKPR-CYBMUJFWSA-N 1 2 374.401 0.968 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000022195956 487619782 /nfs/dbraw/zinc/61/97/82/487619782.db2.gz UYBYRJKVWMGTNF-NSHDSACASA-N 1 2 361.402 0.483 20 5 FCBDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026484466 487682862 /nfs/dbraw/zinc/68/28/62/487682862.db2.gz HSQAHUSQCUMVJZ-UHFFFAOYSA-N 1 2 350.379 0.348 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000026975666 487688992 /nfs/dbraw/zinc/68/89/92/487688992.db2.gz OEZZUHMRKPRCEX-UHFFFAOYSA-N 1 2 370.431 0.392 20 5 FCBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCOCC1 ZINC000028875688 487713993 /nfs/dbraw/zinc/71/39/93/487713993.db2.gz GZRKTNCKPHHKCL-UHFFFAOYSA-N 1 2 350.375 0.163 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543140 487778584 /nfs/dbraw/zinc/77/85/84/487778584.db2.gz YFLAULBPFUIFCG-ZDUSSCGKSA-N 1 2 363.418 0.628 20 5 FCBDLO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000041739501 487840193 /nfs/dbraw/zinc/84/01/93/487840193.db2.gz HFXKQRKKOFOIRI-LLVKDONJSA-N 1 2 350.375 0.679 20 5 FCBDLO COCC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000046003284 487963221 /nfs/dbraw/zinc/96/32/21/487963221.db2.gz AMMMBXYCAMYJCF-UHFFFAOYSA-N 1 2 373.369 0.711 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046886294 487997001 /nfs/dbraw/zinc/99/70/01/487997001.db2.gz HVVYRJJEIWGLNH-STQMWFEESA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@H]1CN(c2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)c[nH+]2)CCO1 ZINC000047187031 488018771 /nfs/dbraw/zinc/01/87/71/488018771.db2.gz ANGKYSAIANRGEU-LBPRGKRZSA-N 1 2 360.374 0.728 20 5 FCBDLO Cc1c(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000051180817 488127143 /nfs/dbraw/zinc/12/71/43/488127143.db2.gz MYIQXTUWBRLEMM-UHFFFAOYSA-N 1 2 362.430 0.880 20 5 FCBDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000052670580 488176104 /nfs/dbraw/zinc/17/61/04/488176104.db2.gz IQGQQBALPSFHEW-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000052670580 488176107 /nfs/dbraw/zinc/17/61/07/488176107.db2.gz IQGQQBALPSFHEW-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000052719908 488179801 /nfs/dbraw/zinc/17/98/01/488179801.db2.gz YLHCXSIOFPTELG-CYBMUJFWSA-N 1 2 355.416 0.372 20 5 FCBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000052719908 488179806 /nfs/dbraw/zinc/17/98/06/488179806.db2.gz YLHCXSIOFPTELG-CYBMUJFWSA-N 1 2 355.416 0.372 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069469791 488372689 /nfs/dbraw/zinc/37/26/89/488372689.db2.gz RNVGSCATEDJMSX-UHFFFAOYSA-N 1 2 352.391 0.947 20 5 FCBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000195342483 488437234 /nfs/dbraw/zinc/43/72/34/488437234.db2.gz UETVHDJMJLIVAY-LBPRGKRZSA-N 1 2 350.423 0.909 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269426504 488502313 /nfs/dbraw/zinc/50/23/13/488502313.db2.gz YPDLVCCKKHXGRV-UHFFFAOYSA-N 1 2 366.422 0.725 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269426504 488502315 /nfs/dbraw/zinc/50/23/15/488502315.db2.gz YPDLVCCKKHXGRV-UHFFFAOYSA-N 1 2 366.422 0.725 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269426504 488502317 /nfs/dbraw/zinc/50/23/17/488502317.db2.gz YPDLVCCKKHXGRV-UHFFFAOYSA-N 1 2 366.422 0.725 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269426504 488502319 /nfs/dbraw/zinc/50/23/19/488502319.db2.gz YPDLVCCKKHXGRV-UHFFFAOYSA-N 1 2 366.422 0.725 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249188241 488507374 /nfs/dbraw/zinc/50/73/74/488507374.db2.gz OPBPVAXWPQLPPU-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249188241 488507375 /nfs/dbraw/zinc/50/73/75/488507375.db2.gz OPBPVAXWPQLPPU-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249188237 488507765 /nfs/dbraw/zinc/50/77/65/488507765.db2.gz OPBPVAXWPQLPPU-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249188237 488507767 /nfs/dbraw/zinc/50/77/67/488507767.db2.gz OPBPVAXWPQLPPU-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000108349737 488518883 /nfs/dbraw/zinc/51/88/83/488518883.db2.gz HXKNCTFGDKKTPE-AWEZNQCLSA-N 1 2 365.434 0.961 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000261940851 488542969 /nfs/dbraw/zinc/54/29/69/488542969.db2.gz DREZLJDLZJETPO-AWEZNQCLSA-N 1 2 365.415 0.972 20 5 FCBDLO COC(=O)C[N@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272122554 488563702 /nfs/dbraw/zinc/56/37/02/488563702.db2.gz QNOJEZFUDWTDRU-MRXNPFEDSA-N 1 2 362.386 0.870 20 5 FCBDLO COC(=O)C[N@@H+](CCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272122554 488563703 /nfs/dbraw/zinc/56/37/03/488563703.db2.gz QNOJEZFUDWTDRU-MRXNPFEDSA-N 1 2 362.386 0.870 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122357862 488577749 /nfs/dbraw/zinc/57/77/49/488577749.db2.gz GSYPHXWFBKDJOY-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000122357862 488577750 /nfs/dbraw/zinc/57/77/50/488577750.db2.gz GSYPHXWFBKDJOY-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO COc1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272853203 488611457 /nfs/dbraw/zinc/61/14/57/488611457.db2.gz QROIGGFBJSYABT-CYBMUJFWSA-N 1 2 368.390 0.760 20 5 FCBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000126775022 488611998 /nfs/dbraw/zinc/61/19/98/488611998.db2.gz UNCSJNGAHCMCKV-UHFFFAOYSA-N 1 2 372.385 0.235 20 5 FCBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2cccc[nH+]2)CC1 ZINC000127459314 488617014 /nfs/dbraw/zinc/61/70/14/488617014.db2.gz WBGLJKQAHIZQFB-UHFFFAOYSA-N 1 2 363.399 0.964 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263888246 488633863 /nfs/dbraw/zinc/63/38/63/488633863.db2.gz UXGQJCVHTXHCEK-UHFFFAOYSA-N 1 2 350.404 0.982 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263888246 488633866 /nfs/dbraw/zinc/63/38/66/488633866.db2.gz UXGQJCVHTXHCEK-UHFFFAOYSA-N 1 2 350.404 0.982 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263962143 488639080 /nfs/dbraw/zinc/63/90/80/488639080.db2.gz IPPGJQZYHHYWLD-SNVBAGLBSA-N 1 2 361.358 0.596 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264026132 488643793 /nfs/dbraw/zinc/64/37/93/488643793.db2.gz YLDMGMXKEVDSLB-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264026132 488643794 /nfs/dbraw/zinc/64/37/94/488643794.db2.gz YLDMGMXKEVDSLB-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000264242117 488657567 /nfs/dbraw/zinc/65/75/67/488657567.db2.gz BQTISZHUGXYOKA-STQMWFEESA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000264242112 488657611 /nfs/dbraw/zinc/65/76/11/488657611.db2.gz BQTISZHUGXYOKA-OLZOCXBDSA-N 1 2 364.402 0.550 20 5 FCBDLO O=[N+]([O-])c1cnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000273601619 488661429 /nfs/dbraw/zinc/66/14/29/488661429.db2.gz JNTKETYCHJIWBM-UHFFFAOYSA-N 1 2 372.389 0.338 20 5 FCBDLO O=[N+]([O-])c1cnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000273601619 488661430 /nfs/dbraw/zinc/66/14/30/488661430.db2.gz JNTKETYCHJIWBM-UHFFFAOYSA-N 1 2 372.389 0.338 20 5 FCBDLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000264315014 488662806 /nfs/dbraw/zinc/66/28/06/488662806.db2.gz ZPKLBYHNEXZBTQ-UHFFFAOYSA-N 1 2 372.385 0.950 20 5 FCBDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264628731 488692106 /nfs/dbraw/zinc/69/21/06/488692106.db2.gz QODSXMAQFDEGBD-UHFFFAOYSA-N 1 2 364.402 0.738 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264746160 488706098 /nfs/dbraw/zinc/70/60/98/488706098.db2.gz LPLRNKBETJJBJF-AWEZNQCLSA-N 1 2 356.448 0.681 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264746160 488706099 /nfs/dbraw/zinc/70/60/99/488706099.db2.gz LPLRNKBETJJBJF-AWEZNQCLSA-N 1 2 356.448 0.681 20 5 FCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264770751 488709914 /nfs/dbraw/zinc/70/99/14/488709914.db2.gz RATGCCRAHAAXFH-LLVKDONJSA-N 1 2 362.839 0.772 20 5 FCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264770751 488709916 /nfs/dbraw/zinc/70/99/16/488709916.db2.gz RATGCCRAHAAXFH-LLVKDONJSA-N 1 2 362.839 0.772 20 5 FCBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N(CCO)CC[NH+]1CCOCC1 ZINC000152419442 488717903 /nfs/dbraw/zinc/71/79/03/488717903.db2.gz SDYGPWQDFMQSHX-UHFFFAOYSA-N 1 2 351.403 0.681 20 5 FCBDLO CC(C)NC(=O)CN1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153724511 488734927 /nfs/dbraw/zinc/73/49/27/488734927.db2.gz RFJXIQNMFGKOJO-MRXNPFEDSA-N 1 2 350.419 0.770 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000266864551 488738413 /nfs/dbraw/zinc/73/84/13/488738413.db2.gz LUNGRMWWQHYIHB-UHFFFAOYSA-N 1 2 358.420 0.010 20 5 FCBDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000274889642 488740990 /nfs/dbraw/zinc/74/09/90/488740990.db2.gz PHIDCDRSCKQCLD-UHFFFAOYSA-N 1 2 355.354 0.626 20 5 FCBDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000274889642 488740992 /nfs/dbraw/zinc/74/09/92/488740992.db2.gz PHIDCDRSCKQCLD-UHFFFAOYSA-N 1 2 355.354 0.626 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000275229312 488775050 /nfs/dbraw/zinc/77/50/50/488775050.db2.gz SUNMAUVTKBVIEO-OAHLLOKOSA-N 1 2 362.386 0.857 20 5 FCBDLO 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CCOc1cc(N2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000280253895 488993256 /nfs/dbraw/zinc/99/32/56/488993256.db2.gz OTDTUWNYUZVZJB-LLVKDONJSA-N 1 2 365.390 0.699 20 5 FCBDLO CC(C)NC(=O)c1ccc(N2CCC[N@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000365262715 489055265 /nfs/dbraw/zinc/05/52/65/489055265.db2.gz GKEQLWYGRFIECJ-UHFFFAOYSA-N 1 2 363.418 0.730 20 5 FCBDLO CC(C)NC(=O)c1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000365262715 489055267 /nfs/dbraw/zinc/05/52/67/489055267.db2.gz GKEQLWYGRFIECJ-UHFFFAOYSA-N 1 2 363.418 0.730 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282106164 489135008 /nfs/dbraw/zinc/13/50/08/489135008.db2.gz PPCDBTUZCFPPLF-ZFWWWQNUSA-N 1 2 351.359 0.922 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282106164 489135012 /nfs/dbraw/zinc/13/50/12/489135012.db2.gz PPCDBTUZCFPPLF-ZFWWWQNUSA-N 1 2 351.359 0.922 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000282406575 489160816 /nfs/dbraw/zinc/16/08/16/489160816.db2.gz HVTPXXCBAAJHSM-UHFFFAOYSA-N 1 2 368.365 0.771 20 5 FCBDLO CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCn2c[nH+]cc2C1 ZINC000290727911 489161197 /nfs/dbraw/zinc/16/11/97/489161197.db2.gz QDWVFZKRDBLNQJ-UHFFFAOYSA-N 1 2 367.387 0.993 20 5 FCBDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528135 489172361 /nfs/dbraw/zinc/17/23/61/489172361.db2.gz URFYVIIXGVVQCX-JSGCOSHPSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528135 489172364 /nfs/dbraw/zinc/17/23/64/489172364.db2.gz URFYVIIXGVVQCX-JSGCOSHPSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297679589 489222822 /nfs/dbraw/zinc/22/28/22/489222822.db2.gz PQNHPMJSLUQKCX-XJKSGUPXSA-N 1 2 366.418 0.990 20 5 FCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000563446641 491246918 /nfs/dbraw/zinc/24/69/18/491246918.db2.gz VSQJZPAOEBSTCJ-UHFFFAOYSA-N 1 2 373.373 0.020 20 5 FCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000563446641 491246920 /nfs/dbraw/zinc/24/69/20/491246920.db2.gz VSQJZPAOEBSTCJ-UHFFFAOYSA-N 1 2 373.373 0.020 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000361982202 489370888 /nfs/dbraw/zinc/37/08/88/489370888.db2.gz RFMWFFCQAOBQOS-HUUCEWRRSA-N 1 2 355.416 0.815 20 5 FCBDLO C[C@H](O)CNc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000298869306 489376044 /nfs/dbraw/zinc/37/60/44/489376044.db2.gz KBIOEHNPBURTHT-LBPRGKRZSA-N 1 2 359.390 0.899 20 5 FCBDLO C[C@H](O)CNc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]cn1 ZINC000298869306 489376048 /nfs/dbraw/zinc/37/60/48/489376048.db2.gz KBIOEHNPBURTHT-LBPRGKRZSA-N 1 2 359.390 0.899 20 5 FCBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000362636572 489390529 /nfs/dbraw/zinc/39/05/29/489390529.db2.gz PDZNXIAATAHXON-OAHLLOKOSA-N 1 2 369.443 0.874 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082245 489421044 /nfs/dbraw/zinc/42/10/44/489421044.db2.gz SGUAICXLXOLFPG-STQMWFEESA-N 1 2 351.407 0.942 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082245 489421048 /nfs/dbraw/zinc/42/10/48/489421048.db2.gz SGUAICXLXOLFPG-STQMWFEESA-N 1 2 351.407 0.942 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082243 489421418 /nfs/dbraw/zinc/42/14/18/489421418.db2.gz SGUAICXLXOLFPG-OLZOCXBDSA-N 1 2 351.407 0.942 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082243 489421419 /nfs/dbraw/zinc/42/14/19/489421419.db2.gz SGUAICXLXOLFPG-OLZOCXBDSA-N 1 2 351.407 0.942 20 5 FCBDLO NS(=O)(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000371099998 489451888 /nfs/dbraw/zinc/45/18/88/489451888.db2.gz NXWSPHXDMIPPOK-KBPBESRZSA-N 1 2 368.415 0.453 20 5 FCBDLO NS(=O)(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000371099998 489451891 /nfs/dbraw/zinc/45/18/91/489451891.db2.gz NXWSPHXDMIPPOK-KBPBESRZSA-N 1 2 368.415 0.453 20 5 FCBDLO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371108311 489453491 /nfs/dbraw/zinc/45/34/91/489453491.db2.gz RKEJJUHXVNBZMQ-LBPRGKRZSA-N 1 2 356.404 0.153 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487569 489470756 /nfs/dbraw/zinc/47/07/56/489470756.db2.gz HKHYAHFJJGSRCB-NEPJUHHUSA-N 1 2 370.431 0.854 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487569 489470758 /nfs/dbraw/zinc/47/07/58/489470758.db2.gz HKHYAHFJJGSRCB-NEPJUHHUSA-N 1 2 370.431 0.854 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000371375855 489481677 /nfs/dbraw/zinc/48/16/77/489481677.db2.gz RCBWHLBHYPWLHZ-UHFFFAOYSA-N 1 2 357.370 0.776 20 5 FCBDLO 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361.358 0.974 20 5 FCBDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000377060334 489845498 /nfs/dbraw/zinc/84/54/98/489845498.db2.gz FWEZEBAYOPAWIL-UHFFFAOYSA-N 1 2 357.370 0.829 20 5 FCBDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000377060334 489845499 /nfs/dbraw/zinc/84/54/99/489845499.db2.gz FWEZEBAYOPAWIL-UHFFFAOYSA-N 1 2 357.370 0.829 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCn2c[nH+]cc2C1 ZINC000461196901 489898758 /nfs/dbraw/zinc/89/87/58/489898758.db2.gz ONPMKKPEAYDVQA-UHFFFAOYSA-N 1 2 357.326 0.559 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433952986 489906609 /nfs/dbraw/zinc/90/66/09/489906609.db2.gz YVFGDZUQPGNFPU-UHFFFAOYSA-N 1 2 358.358 0.424 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433952986 489906613 /nfs/dbraw/zinc/90/66/13/489906613.db2.gz YVFGDZUQPGNFPU-UHFFFAOYSA-N 1 2 358.358 0.424 20 5 FCBDLO COC(=O)c1cnc(NC[C@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000477732538 489988679 /nfs/dbraw/zinc/98/86/79/489988679.db2.gz UKZJHEYKVNINLM-HNNXBMFYSA-N 1 2 354.363 0.272 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000479024561 490062920 /nfs/dbraw/zinc/06/29/20/490062920.db2.gz OXUFEPHQTZQTQK-GFCCVEGCSA-N 1 2 353.379 0.190 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000479024561 490062924 /nfs/dbraw/zinc/06/29/24/490062924.db2.gz OXUFEPHQTZQTQK-GFCCVEGCSA-N 1 2 353.379 0.190 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465128650 490083495 /nfs/dbraw/zinc/08/34/95/490083495.db2.gz CASQMGRBKUNDSD-GFCCVEGCSA-N 1 2 365.386 0.745 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465128650 490083500 /nfs/dbraw/zinc/08/35/00/490083500.db2.gz CASQMGRBKUNDSD-GFCCVEGCSA-N 1 2 365.386 0.745 20 5 FCBDLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000532705646 490098388 /nfs/dbraw/zinc/09/83/88/490098388.db2.gz GVFSACRSQOBBJJ-NSHDSACASA-N 1 2 350.379 0.712 20 5 FCBDLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000532705646 490098393 /nfs/dbraw/zinc/09/83/93/490098393.db2.gz GVFSACRSQOBBJJ-NSHDSACASA-N 1 2 350.379 0.712 20 5 FCBDLO Cc1c(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000480068192 490158101 /nfs/dbraw/zinc/15/81/01/490158101.db2.gz ICHHNDCAXBWOOV-HNNXBMFYSA-N 1 2 366.418 0.738 20 5 FCBDLO Cc1c(Br)c(NC[C@H]2C[NH+]3CCN2CC3)ncc1[N+](=O)[O-] ZINC000394823033 490162346 /nfs/dbraw/zinc/16/23/46/490162346.db2.gz UQPUWTIHTQPWAS-JTQLQIEISA-N 1 2 356.224 1.472 20 5 FCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000546764384 490243935 /nfs/dbraw/zinc/24/39/35/490243935.db2.gz JYFDCELRLAMPHR-UHFFFAOYSA-N 1 2 358.358 0.734 20 5 FCBDLO COCCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000548028603 490410220 /nfs/dbraw/zinc/41/02/20/490410220.db2.gz JOXHVFDITJEKOF-GJZGRUSLSA-N 1 2 363.370 0.964 20 5 FCBDLO COCCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000548028603 490410224 /nfs/dbraw/zinc/41/02/24/490410224.db2.gz JOXHVFDITJEKOF-GJZGRUSLSA-N 1 2 363.370 0.964 20 5 FCBDLO CNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449806476 490428321 /nfs/dbraw/zinc/42/83/21/490428321.db2.gz ZPAZZKNLACKHNZ-UHFFFAOYSA-N 1 2 372.385 0.284 20 5 FCBDLO COC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450077285 490442753 /nfs/dbraw/zinc/44/27/53/490442753.db2.gz MCGADGXFIZXPSR-CQSZACIVSA-N 1 2 360.326 0.795 20 5 FCBDLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535293960 490475856 /nfs/dbraw/zinc/47/58/56/490475856.db2.gz NFCMBHCPYGXSBF-LLVKDONJSA-N 1 2 353.360 0.508 20 5 FCBDLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535293960 490475863 /nfs/dbraw/zinc/47/58/63/490475863.db2.gz NFCMBHCPYGXSBF-LLVKDONJSA-N 1 2 353.360 0.508 20 5 FCBDLO CC(C)NS(=O)(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450921701 490499367 /nfs/dbraw/zinc/49/93/67/490499367.db2.gz JQJOUXOCTKWPTI-UHFFFAOYSA-N 1 2 372.447 0.834 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000524132574 490520570 /nfs/dbraw/zinc/52/05/70/490520570.db2.gz IUVQJJOZMXILKU-GFCCVEGCSA-N 1 2 350.375 0.618 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000524132574 490520578 /nfs/dbraw/zinc/52/05/78/490520578.db2.gz IUVQJJOZMXILKU-GFCCVEGCSA-N 1 2 350.375 0.618 20 5 FCBDLO C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000485379214 490527125 /nfs/dbraw/zinc/52/71/25/490527125.db2.gz KOHAKUBUGDXZLT-CQSZACIVSA-N 1 2 366.418 0.992 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000486012873 490584190 /nfs/dbraw/zinc/58/41/90/490584190.db2.gz WNYAFBQWVJREHZ-GFCCVEGCSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000486012873 490584197 /nfs/dbraw/zinc/58/41/97/490584197.db2.gz WNYAFBQWVJREHZ-GFCCVEGCSA-N 1 2 358.420 0.765 20 5 FCBDLO NC(=O)[C@@H]1CSCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000501536028 490613536 /nfs/dbraw/zinc/61/35/36/490613536.db2.gz XQTJYSUNFOCMFZ-LBPRGKRZSA-N 1 2 366.399 0.796 20 5 FCBDLO NC(=O)[C@@H]1CSCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000501536028 490613545 /nfs/dbraw/zinc/61/35/45/490613545.db2.gz XQTJYSUNFOCMFZ-LBPRGKRZSA-N 1 2 366.399 0.796 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000556992958 491347081 /nfs/dbraw/zinc/34/70/81/491347081.db2.gz YQLVCUSORGTSQG-JTQLQIEISA-N 1 2 352.347 0.310 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000556992958 491347082 /nfs/dbraw/zinc/34/70/82/491347082.db2.gz YQLVCUSORGTSQG-JTQLQIEISA-N 1 2 352.347 0.310 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000513821414 490750029 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/nfs/dbraw/zinc/92/61/96/490926196.db2.gz SZPZILIZOOLTDJ-YPMHNXCESA-N 1 2 368.438 0.664 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531911863 490980631 /nfs/dbraw/zinc/98/06/31/490980631.db2.gz ZVXZTKCKGMTARY-OLZOCXBDSA-N 1 2 370.431 0.912 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596428816 491985676 /nfs/dbraw/zinc/98/56/76/491985676.db2.gz IHIOSQQQCHQGDV-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000596428816 491985677 /nfs/dbraw/zinc/98/56/77/491985677.db2.gz IHIOSQQQCHQGDV-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO Cn1c[nH+]cc1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569631279 491176534 /nfs/dbraw/zinc/17/65/34/491176534.db2.gz BPRJKSWAKZCDOG-UHFFFAOYSA-N 1 2 367.387 0.313 20 5 FCBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1[N+](=O)[O-] ZINC000573603850 491443502 /nfs/dbraw/zinc/44/35/02/491443502.db2.gz VMRXXSHFOLWWDZ-UHFFFAOYSA-N 1 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ZINC000576710344 491638012 /nfs/dbraw/zinc/63/80/12/491638012.db2.gz HGIIWUSDRRDGCT-UHFFFAOYSA-N 1 2 367.387 0.939 20 5 FCBDLO COc1cc[nH+]cc1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000562051281 491650689 /nfs/dbraw/zinc/65/06/89/491650689.db2.gz LRQQNQZPRQVYBK-UHFFFAOYSA-N 1 2 370.321 0.911 20 5 FCBDLO CNc1nccc(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)c1[N+](=O)[O-] ZINC000578142521 491670854 /nfs/dbraw/zinc/67/08/54/491670854.db2.gz NAXZGXBYNAGVQH-NSHDSACASA-N 1 2 374.401 0.816 20 5 FCBDLO NC(=O)N1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000588855898 491750498 /nfs/dbraw/zinc/75/04/98/491750498.db2.gz QHQUWHKYOJFGPQ-NSHDSACASA-N 1 2 358.358 0.911 20 5 FCBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000589195799 491757534 /nfs/dbraw/zinc/75/75/34/491757534.db2.gz MXGRGKCOOLBWSK-NTEUORMPSA-N 1 2 371.401 0.829 20 5 FCBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](CO)[C@H](O)C1 ZINC000581699310 491783313 /nfs/dbraw/zinc/78/33/13/491783313.db2.gz BDJQPFSVJJKWKV-WMLDXEAASA-N 1 2 351.403 0.607 20 5 FCBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](CO)[C@@H](O)C1 ZINC000581699311 491783316 /nfs/dbraw/zinc/78/33/16/491783316.db2.gz BDJQPFSVJJKWKV-YOEHRIQHSA-N 1 2 351.403 0.607 20 5 FCBDLO O=C1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC000595291030 491913393 /nfs/dbraw/zinc/91/33/93/491913393.db2.gz WCICBSKESMUFLS-GFCCVEGCSA-N 1 2 368.415 0.037 20 5 FCBDLO COC(=O)[C@](C)(CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000595532497 491940644 /nfs/dbraw/zinc/94/06/44/491940644.db2.gz SDZPJVHVGKWZDY-HNNXBMFYSA-N 1 2 353.331 0.406 20 5 FCBDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596074067 491974714 /nfs/dbraw/zinc/97/47/14/491974714.db2.gz XSYDPVVRUNMTIV-LBPRGKRZSA-N 1 2 363.418 0.730 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426945 491984993 /nfs/dbraw/zinc/98/49/93/491984993.db2.gz DLBYBZMROJRYSC-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426945 491984996 /nfs/dbraw/zinc/98/49/96/491984996.db2.gz DLBYBZMROJRYSC-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434937 491985737 /nfs/dbraw/zinc/98/57/37/491985737.db2.gz ZKBGJKWPLHLLQL-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434937 491985739 /nfs/dbraw/zinc/98/57/39/491985739.db2.gz ZKBGJKWPLHLLQL-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434936 491986082 /nfs/dbraw/zinc/98/60/82/491986082.db2.gz ZKBGJKWPLHLLQL-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596434936 491986084 /nfs/dbraw/zinc/98/60/84/491986084.db2.gz ZKBGJKWPLHLLQL-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO COCC(=O)NC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000603882598 492044541 /nfs/dbraw/zinc/04/45/41/492044541.db2.gz WHPKVRXWPGXAFZ-UHFFFAOYSA-N 1 2 364.402 0.785 20 5 FCBDLO COc1cccc([C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2[nH+]ccn2C)c1 ZINC000604232340 492055382 /nfs/dbraw/zinc/05/53/82/492055382.db2.gz ZGJHUPINTZWEBF-CQSZACIVSA-N 1 2 371.357 0.834 20 5 FCBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000604233865 492055577 /nfs/dbraw/zinc/05/55/77/492055577.db2.gz JMTMVSLZCXBCPU-UHFFFAOYSA-N 1 2 373.373 0.213 20 5 FCBDLO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000597684186 492059288 /nfs/dbraw/zinc/05/92/88/492059288.db2.gz ORHFDFGOCOPWTE-SNVBAGLBSA-N 1 2 367.387 0.864 20 5 FCBDLO COCC(COC)[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598629220 492110104 /nfs/dbraw/zinc/11/01/04/492110104.db2.gz DTYUYZQCVIZQJX-UHFFFAOYSA-N 1 2 368.390 0.560 20 5 FCBDLO C[C@]1(CO)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623148 492194630 /nfs/dbraw/zinc/19/46/30/492194630.db2.gz GSMOHYHUELLILT-IYBDPMFKSA-N 1 2 372.443 0.681 20 5 FCBDLO C[C@]1(CO)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000599623148 492194632 /nfs/dbraw/zinc/19/46/32/492194632.db2.gz GSMOHYHUELLILT-IYBDPMFKSA-N 1 2 372.443 0.681 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647107 492196596 /nfs/dbraw/zinc/19/65/96/492196596.db2.gz PFANFAMCMZLZII-JTQLQIEISA-N 1 2 371.419 0.179 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000609163150 492199224 /nfs/dbraw/zinc/19/92/24/492199224.db2.gz CSWSURVGYLTMSV-UHFFFAOYSA-N 1 2 364.358 0.217 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471202 492209228 /nfs/dbraw/zinc/20/92/28/492209228.db2.gz INAFESGDAAZARK-CYBMUJFWSA-N 1 2 352.391 0.994 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471202 492209230 /nfs/dbraw/zinc/20/92/30/492209230.db2.gz INAFESGDAAZARK-CYBMUJFWSA-N 1 2 352.391 0.994 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000609532049 492211986 /nfs/dbraw/zinc/21/19/86/492211986.db2.gz FHWLIAQZMYDUFO-UHFFFAOYSA-N 1 2 350.375 0.081 20 5 FCBDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609546752 492213366 /nfs/dbraw/zinc/21/33/66/492213366.db2.gz ADPJLHRRHYGEQQ-CQSZACIVSA-N 1 2 351.407 0.519 20 5 FCBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609546752 492213368 /nfs/dbraw/zinc/21/33/68/492213368.db2.gz ADPJLHRRHYGEQQ-CQSZACIVSA-N 1 2 351.407 0.519 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610898816 492267212 /nfs/dbraw/zinc/26/72/12/492267212.db2.gz FGVVLIFZDLMJTQ-IINYFYTJSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610898816 492267215 /nfs/dbraw/zinc/26/72/15/492267215.db2.gz FGVVLIFZDLMJTQ-IINYFYTJSA-N 1 2 359.404 0.601 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611254136 492282931 /nfs/dbraw/zinc/28/29/31/492282931.db2.gz KHCFBSGRRHGZHG-UHFFFAOYSA-N 1 2 364.402 0.620 20 5 FCBDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254709 492283185 /nfs/dbraw/zinc/28/31/85/492283185.db2.gz KCXPQAMOKHXSLD-LBPRGKRZSA-N 1 2 371.415 0.880 20 5 FCBDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254709 492283186 /nfs/dbraw/zinc/28/31/86/492283186.db2.gz KCXPQAMOKHXSLD-LBPRGKRZSA-N 1 2 371.415 0.880 20 5 FCBDLO CCOc1cc(NCC[NH+]2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000611296451 492285078 /nfs/dbraw/zinc/28/50/78/492285078.db2.gz NBWPLGXDVJZOCO-UHFFFAOYSA-N 1 2 372.447 0.983 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000163346787 527345624 /nfs/dbraw/zinc/34/56/24/527345624.db2.gz KTCMJBQARNQTBV-UHFFFAOYSA-N 1 2 371.459 0.856 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000591746731 546940227 /nfs/dbraw/zinc/94/02/27/546940227.db2.gz WCOAUJHMBJTZAH-UHFFFAOYSA-N 1 2 352.376 0.480 20 5 FCBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N(CCO)CC[NH+]1CCOCC1 ZINC000593539296 546971566 /nfs/dbraw/zinc/97/15/66/546971566.db2.gz CHQBSVLOUWCQGN-UHFFFAOYSA-N 1 2 355.366 0.430 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594576909 547001770 /nfs/dbraw/zinc/00/17/70/547001770.db2.gz GLOKRVONYBPERO-NSHDSACASA-N 1 2 350.379 0.866 20 5 FCBDLO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000594652053 547002519 /nfs/dbraw/zinc/00/25/19/547002519.db2.gz KKLZXCBDLVDSDK-SECBINFHSA-N 1 2 353.360 0.158 20 5 FCBDLO C[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826028676 607578640 /nfs/dbraw/zinc/57/86/40/607578640.db2.gz FSFQGNDFZXILPV-UHFFFAOYSA-N 1 2 367.391 0.147 20 5 FCBDLO COc1c(O)ccc(CN2CC[NH+](CC[S@](C)=O)CC2)c1[N+](=O)[O-] ZINC000892102618 663476531 /nfs/dbraw/zinc/47/65/31/663476531.db2.gz FEGRCABFXLHUNX-DEOSSOPVSA-N 1 2 357.432 0.805 20 5 FCBDLO CC(C)n1ncnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432167 665166978 /nfs/dbraw/zinc/16/69/78/665166978.db2.gz WUXRGPGXKUJMHY-ZIAGYGMSSA-N 1 2 350.423 0.947 20 5 FCBDLO CC(C)n1ncnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432167 665166980 /nfs/dbraw/zinc/16/69/80/665166980.db2.gz WUXRGPGXKUJMHY-ZIAGYGMSSA-N 1 2 350.423 0.947 20 5 FCBDLO O=C(C[N@@H+]1CCc2sccc2C1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991290114 666288132 /nfs/dbraw/zinc/28/81/32/666288132.db2.gz MFBGPFHYTLEYBV-CHWSQXEVSA-N 1 2 364.427 0.098 20 5 FCBDLO O=C(C[N@H+]1CCc2sccc2C1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991290114 666288134 /nfs/dbraw/zinc/28/81/34/666288134.db2.gz MFBGPFHYTLEYBV-CHWSQXEVSA-N 1 2 364.427 0.098 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982253 667214231 /nfs/dbraw/zinc/21/42/31/667214231.db2.gz RTYMSYQKEGPSMP-SMDDNHRTSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982253 667214234 /nfs/dbraw/zinc/21/42/34/667214234.db2.gz RTYMSYQKEGPSMP-SMDDNHRTSA-N 1 2 374.438 0.955 20 5 FCBDLO CN(C)c1noc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034642827 667762100 /nfs/dbraw/zinc/76/21/00/667762100.db2.gz GJHORLKNLHKSTO-DDHJBXDOSA-N 1 2 352.395 0.318 20 5 FCBDLO CC(C)COC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000743842477 668052721 /nfs/dbraw/zinc/05/27/21/668052721.db2.gz FVZZXMHYKOWRPJ-AWEZNQCLSA-N 1 2 355.395 0.562 20 5 FCBDLO COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406329 668059554 /nfs/dbraw/zinc/05/95/54/668059554.db2.gz CHZJTVIXJALKIY-ZDUSSCGKSA-N 1 2 372.447 0.927 20 5 FCBDLO COCCS(=O)(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406329 668059556 /nfs/dbraw/zinc/05/95/56/668059556.db2.gz CHZJTVIXJALKIY-ZDUSSCGKSA-N 1 2 372.447 0.927 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784191407 668645412 /nfs/dbraw/zinc/64/54/12/668645412.db2.gz JMSMQAUWDRKNCE-DLUDVSRJSA-N 1 2 371.459 0.331 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784191410 668645749 /nfs/dbraw/zinc/64/57/49/668645749.db2.gz JMSMQAUWDRKNCE-SXBQZSJRSA-N 1 2 371.459 0.331 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786931047 668781943 /nfs/dbraw/zinc/78/19/43/668781943.db2.gz PYLDCIPDEBUESR-UHFFFAOYSA-N 1 2 370.431 0.416 20 5 FCBDLO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793570426 668933930 /nfs/dbraw/zinc/93/39/30/668933930.db2.gz VLYWBUOTGFVXRD-ZDUSSCGKSA-N 1 2 353.404 0.868 20 5 FCBDLO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793570426 668933932 /nfs/dbraw/zinc/93/39/32/668933932.db2.gz VLYWBUOTGFVXRD-ZDUSSCGKSA-N 1 2 353.404 0.868 20 5 FCBDLO CC(=O)N1C[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821328659 669181754 /nfs/dbraw/zinc/18/17/54/669181754.db2.gz NINAGMSWMLHVPT-OKILXGFUSA-N 1 2 367.427 0.779 20 5 FCBDLO CC(=O)N1C[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821328659 669181756 /nfs/dbraw/zinc/18/17/56/669181756.db2.gz NINAGMSWMLHVPT-OKILXGFUSA-N 1 2 367.427 0.779 20 5 FCBDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000842962900 670758348 /nfs/dbraw/zinc/75/83/48/670758348.db2.gz BEFMUQGTFVFSBJ-GXTWGEPZSA-N 1 2 356.379 0.460 20 5 FCBDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000842962900 670758354 /nfs/dbraw/zinc/75/83/54/670758354.db2.gz BEFMUQGTFVFSBJ-GXTWGEPZSA-N 1 2 356.379 0.460 20 5 FCBDLO CN(C)c1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001001395507 676070831 /nfs/dbraw/zinc/07/08/31/676070831.db2.gz NNTMZEUHKQISRH-VXGBXAGGSA-N 1 2 352.395 0.129 20 5 FCBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139842 675435555 /nfs/dbraw/zinc/43/55/55/675435555.db2.gz NZQHPNSZRMDRIA-WCTZXXKLSA-N 1 2 365.337 0.959 20 5 FCBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2nc3ccsc3c(=O)[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139256 675435601 /nfs/dbraw/zinc/43/56/01/675435601.db2.gz WCLMSSHWDSDULX-TURQNECASA-N 1 2 363.399 0.799 20 5 FCBDLO CCn1nc(C)c(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001045437685 675653665 /nfs/dbraw/zinc/65/36/65/675653665.db2.gz YODZJVKKYVFPCI-TZMCWYRMSA-N 1 2 350.423 0.742 20 5 FCBDLO O=C(NCc1nc(C[NH2+]Cc2cccnc2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001087256953 1180335557 /nfs/dbraw/zinc/33/55/57/1180335557.db2.gz SDNGZMJTYPFKFF-CHWSQXEVSA-N 1 2 358.358 0.148 20 5 FCBDLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782861436 1182098228 /nfs/dbraw/zinc/09/82/28/1182098228.db2.gz VWFTZGTZTWFSJK-UHFFFAOYSA-N 1 2 364.362 0.585 20 5 FCBDLO O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000973255022 1182142169 /nfs/dbraw/zinc/14/21/69/1182142169.db2.gz SRTXYLWRANYEGM-RRCSTGOVSA-N 1 2 369.381 0.915 20 5 FCBDLO COc1cc(OCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000896567354 1190094792 /nfs/dbraw/zinc/09/47/92/1190094792.db2.gz GGLDAPLPZZFUBL-DOMZBBRYSA-N 1 2 366.418 0.733 20 5 FCBDLO COc1cc(OCC(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000896567354 1190094793 /nfs/dbraw/zinc/09/47/93/1190094793.db2.gz GGLDAPLPZZFUBL-DOMZBBRYSA-N 1 2 366.418 0.733 20 5 FCBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000550684449 1193733063 /nfs/dbraw/zinc/73/30/63/1193733063.db2.gz UDUBSNITOHELEU-UHFFFAOYSA-N 1 2 372.385 0.787 20 5 FCBDLO COc1cccc(-c2nnc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])o2)c1 ZINC001126938747 1194624603 /nfs/dbraw/zinc/62/46/03/1194624603.db2.gz JGQQLPAQWNQFDK-CHWSQXEVSA-N 1 2 361.358 0.616 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2C[NH+](CCOCC3CC3)C2)CC1 ZINC001105706942 1195778729 /nfs/dbraw/zinc/77/87/29/1195778729.db2.gz FUBVURTYJZDTHZ-IAGOWNOFSA-N 1 2 367.446 0.770 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592192572 1196560318 /nfs/dbraw/zinc/56/03/18/1196560318.db2.gz CCKGCJZMBSNGDE-UGFHNGPFSA-N 1 2 363.370 0.556 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592192572 1196560323 /nfs/dbraw/zinc/56/03/23/1196560323.db2.gz CCKGCJZMBSNGDE-UGFHNGPFSA-N 1 2 363.370 0.556 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2nc(-c3ccccc3)no2)c1 ZINC000592432113 1196621768 /nfs/dbraw/zinc/62/17/68/1196621768.db2.gz ORCWXSUEBDCCHQ-ZIAGYGMSSA-N 1 2 374.357 0.525 20 5 FCBDLO O=C(NC1C[NH+](CCCc2nnnn2-c2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030294501 1196624083 /nfs/dbraw/zinc/62/40/83/1196624083.db2.gz JABCOBQFTPBFJW-HUUCEWRRSA-N 1 2 371.401 0.061 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C2 ZINC000808077407 1202871901 /nfs/dbraw/zinc/87/19/01/1202871901.db2.gz QEBODNGIZDQDHC-NSHDSACASA-N 1 2 359.386 0.962 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000808076423 1202872242 /nfs/dbraw/zinc/87/22/42/1202872242.db2.gz VXRVWHLHIKXWOF-LBPRGKRZSA-N 1 2 359.386 0.962 20 5 FCBDLO Cc1ccccc1C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001093318773 1206075232 /nfs/dbraw/zinc/07/52/32/1206075232.db2.gz ONCPGTCZBGTOQX-IAGOWNOFSA-N 1 2 370.413 0.925 20 5 FCBDLO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCc1c[nH+]cn1C ZINC000773824572 1206385058 /nfs/dbraw/zinc/38/50/58/1206385058.db2.gz LCJAPIABPQIKEL-UHFFFAOYSA-N 1 2 362.342 0.887 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000954239417 1213049954 /nfs/dbraw/zinc/04/99/54/1213049954.db2.gz GZNYCTCMQRTYEU-HZPDHXFCSA-N 1 2 369.381 0.820 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000967948069 1215266279 /nfs/dbraw/zinc/26/62/79/1215266279.db2.gz BNQVJXFAEDCCSK-HUUCEWRRSA-N 1 2 371.397 0.981 20 5 FCBDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000968113449 1215287746 /nfs/dbraw/zinc/28/77/46/1215287746.db2.gz AURQLLYFLZGDCD-IUODEOHRSA-N 1 2 357.370 0.901 20 5 FCBDLO CCn1nc(C)c(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)n1 ZINC001050516997 1216328525 /nfs/dbraw/zinc/32/85/25/1216328525.db2.gz LXTGQIPKIJZKHI-UKRRQHHQSA-N 1 2 362.434 0.696 20 5 FCBDLO COCCc1noc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001045436269 1217928290 /nfs/dbraw/zinc/92/82/90/1217928290.db2.gz OMWYICIXVOHEGC-VXGBXAGGSA-N 1 2 367.406 0.394 20 5 FCBDLO CC(C)(C)c1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048813005 1218319531 /nfs/dbraw/zinc/31/95/31/1218319531.db2.gz VLPZFQZLEAARFD-YVECIDJPSA-N 1 2 363.418 0.923 20 5 FCBDLO CC(C)(C)c1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048813005 1218319540 /nfs/dbraw/zinc/31/95/40/1218319540.db2.gz VLPZFQZLEAARFD-YVECIDJPSA-N 1 2 363.418 0.923 20 5 FCBDLO Cn1cc[nH+]c1CCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073012806 1219631977 /nfs/dbraw/zinc/63/19/77/1219631977.db2.gz DVHFQRIDNNUSFO-CHWSQXEVSA-N 1 2 363.418 0.515 20 5 FCBDLO NC(=O)COC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC001116161552 1221339991 /nfs/dbraw/zinc/33/99/91/1221339991.db2.gz SYKDJWGNPDPGFA-UHFFFAOYSA-N 1 2 373.369 0.887 20 5 FCBDLO Cc1ccc(NCCCNC(=O)C(=O)NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001116990455 1221421906 /nfs/dbraw/zinc/42/19/06/1221421906.db2.gz BFBRAYGCLCZCIO-UHFFFAOYSA-N 1 2 374.401 0.834 20 5 FCBDLO C[C@@H]1NC(=O)N(CCOC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000838102805 1222670592 /nfs/dbraw/zinc/67/05/92/1222670592.db2.gz YFYFCGXJBRCONY-JTQLQIEISA-N 1 2 373.325 0.878 20 5 FCBDLO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2nc(C)no2)CC1 ZINC001151121101 1222916710 /nfs/dbraw/zinc/91/67/10/1222916710.db2.gz GFCFPUJOIYYEDN-CHWSQXEVSA-N 1 2 367.406 0.531 20 5 FCBDLO COc1ccc(C(=O)CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001151260513 1222920742 /nfs/dbraw/zinc/92/07/42/1222920742.db2.gz NWPZWPDQGGAONQ-RISCZKNCSA-N 1 2 362.386 0.291 20 5 FCBDLO COc1ccc(C(=O)CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001151260513 1222920747 /nfs/dbraw/zinc/92/07/47/1222920747.db2.gz NWPZWPDQGGAONQ-RISCZKNCSA-N 1 2 362.386 0.291 20 5 FCBDLO O=C(NCCC[NH2+]Cc1noc(Cc2ccccc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775794 1223082363 /nfs/dbraw/zinc/08/23/63/1223082363.db2.gz XCJNAWCVOODXGV-ZIAGYGMSSA-N 1 2 359.386 0.922 20 5 FCBDLO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001159434023 1223126935 /nfs/dbraw/zinc/12/69/35/1223126935.db2.gz VQCJDWHJHCCCFH-BRWVUGGUSA-N 1 2 374.441 0.543 20 5 FCBDLO CC(C)(C)CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107090 1223146095 /nfs/dbraw/zinc/14/60/95/1223146095.db2.gz IIISODZWASSWKE-HUUCEWRRSA-N 1 2 366.462 0.952 20 5 FCBDLO CC(C)(C)CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107090 1223146097 /nfs/dbraw/zinc/14/60/97/1223146097.db2.gz IIISODZWASSWKE-HUUCEWRRSA-N 1 2 366.462 0.952 20 5 FCBDLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000944385168 1247543297 /nfs/dbraw/zinc/54/32/97/1247543297.db2.gz NRQDEGNHEMGPIX-ZIAGYGMSSA-N 1 2 361.402 0.459 20 5 FCBDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)c[nH+]1 ZINC000976761579 1248393942 /nfs/dbraw/zinc/39/39/42/1248393942.db2.gz UWFNKKOCZBESMH-RGDJUOJXSA-N 1 2 361.402 0.165 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001308017728 1263208237 /nfs/dbraw/zinc/20/82/37/1263208237.db2.gz ZRJHIMNIQZQOCN-QGZVFWFLSA-N 1 2 361.402 0.676 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC001323395109 1264419585 /nfs/dbraw/zinc/41/95/85/1264419585.db2.gz KMVPDCDAXGWCBC-GFCCVEGCSA-N 1 2 362.390 0.352 20 5 FCBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001323624881 1264470859 /nfs/dbraw/zinc/47/08/59/1264470859.db2.gz HRFQZQRCWLDPFA-LBPRGKRZSA-N 1 2 373.369 0.418 20 5 FCBDLO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001327438780 1265322990 /nfs/dbraw/zinc/32/29/90/1265322990.db2.gz UOSXKSQECNZXJM-UHFFFAOYSA-N 1 2 369.381 0.955 20 5 FCBDLO Cc1[nH+]c[nH]c1CC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001580499894 1278410155 /nfs/dbraw/zinc/41/01/55/1278410155.db2.gz VEZMEJYGAGIZAH-UHFFFAOYSA-N 1 2 371.361 0.577 20 5 FCBDLO COc1ccc(NC(=O)C[NH+]2CCC(OCC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001340810204 1268666402 /nfs/dbraw/zinc/66/64/02/1268666402.db2.gz ZANFHVPJNZFPGO-UHFFFAOYSA-N 1 2 366.374 0.508 20 5 FCBDLO CC(=O)N1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001588822408 1282710112 /nfs/dbraw/zinc/71/01/12/1282710112.db2.gz ALTVTHISHZSHMJ-UHFFFAOYSA-N 1 2 374.405 0.659 20 5 FCBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001590731608 1283762216 /nfs/dbraw/zinc/76/22/16/1283762216.db2.gz YTBCYFWGXBLSLK-JTQLQIEISA-N 1 2 367.391 0.147 20 5 FCBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001590731608 1283762224 /nfs/dbraw/zinc/76/22/24/1283762224.db2.gz YTBCYFWGXBLSLK-JTQLQIEISA-N 1 2 367.391 0.147 20 5 FCBDLO O=C1OCC[C@@H]1[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001607054121 1288624277 /nfs/dbraw/zinc/62/42/77/1288624277.db2.gz BXLPBXBLAPXTDD-ZDUSSCGKSA-N 1 2 373.373 0.967 20 5 FCBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001607083463 1288652460 /nfs/dbraw/zinc/65/24/60/1288652460.db2.gz HHDSVLHNZOLKQU-UHFFFAOYSA-N 1 2 355.362 0.820 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000746473501 836185522 /nfs/dbraw/zinc/18/55/22/836185522.db2.gz JIWDOJCEZCOAFT-VWLOTQADSA-N 1 2 368.459 0.920 20 5 FCBDLO Cn1c[nH+]cc1CS(=O)(=O)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC001116359094 846664128 /nfs/dbraw/zinc/66/41/28/846664128.db2.gz WMZKIUKRFSHAQD-UHFFFAOYSA-N 1 2 359.385 0.706 20 5 FCBDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001124010438 848667479 /nfs/dbraw/zinc/66/74/79/848667479.db2.gz JLBBSVCDOQBLLG-UHFFFAOYSA-N 1 2 352.372 0.704 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155194474 849836673 /nfs/dbraw/zinc/83/66/73/849836673.db2.gz PRIKMHXFLPOAMN-QMMMGPOBSA-N 1 2 359.770 0.957 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-] ZINC001155194474 849836679 /nfs/dbraw/zinc/83/66/79/849836679.db2.gz PRIKMHXFLPOAMN-QMMMGPOBSA-N 1 2 359.770 0.957 20 5 FCBDLO CNC(=O)C[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC001307213874 866650123 /nfs/dbraw/zinc/65/01/23/866650123.db2.gz QFVNMRANWGVRLO-UHFFFAOYSA-N 1 2 364.328 0.605 20 5 FCBDLO CNC(=O)C[N@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC001307213874 866650129 /nfs/dbraw/zinc/65/01/29/866650129.db2.gz QFVNMRANWGVRLO-UHFFFAOYSA-N 1 2 364.328 0.605 20 5 FCBDLO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001307225339 866650801 /nfs/dbraw/zinc/65/08/01/866650801.db2.gz YLDXEJHLZQTGFL-RYUDHWBXSA-N 1 2 352.370 0.454 20 5 FCBDLO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001307225339 866650806 /nfs/dbraw/zinc/65/08/06/866650806.db2.gz YLDXEJHLZQTGFL-RYUDHWBXSA-N 1 2 352.370 0.454 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)c1 ZINC001308036111 866692855 /nfs/dbraw/zinc/69/28/55/866692855.db2.gz NPNKDVMSEVSOII-AWEZNQCLSA-N 1 2 354.359 0.937 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC(OC)(OC)[C@@H](O)C2)c1 ZINC001308036111 866692864 /nfs/dbraw/zinc/69/28/64/866692864.db2.gz NPNKDVMSEVSOII-AWEZNQCLSA-N 1 2 354.359 0.937 20 5 FCBDLO COC1(OC)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC001308035165 866693356 /nfs/dbraw/zinc/69/33/56/866693356.db2.gz IXVPEQJYNGEFMJ-CQSZACIVSA-N 1 2 353.375 0.613 20 5 FCBDLO COC1(OC)CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC001308035165 866693367 /nfs/dbraw/zinc/69/33/67/866693367.db2.gz IXVPEQJYNGEFMJ-CQSZACIVSA-N 1 2 353.375 0.613 20 5 FCBDLO CC[NH+]1CCN(C(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001323649261 869292577 /nfs/dbraw/zinc/29/25/77/869292577.db2.gz KXEWYBKMQSBNBG-UHFFFAOYSA-N 1 2 350.375 0.384 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001329490607 872064070 /nfs/dbraw/zinc/06/40/70/872064070.db2.gz NIZCXUYBQNAQGU-CYBMUJFWSA-N 1 2 351.359 0.727 20 5 FCBDLO NC(=O)COC1CC[NH+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC001331363455 873074842 /nfs/dbraw/zinc/07/48/42/873074842.db2.gz OWYHAXRALTZRCR-UHFFFAOYSA-N 1 2 350.331 0.427 20 5 FCBDLO COCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000266029573 210267258 /nfs/dbraw/zinc/26/72/58/210267258.db2.gz RNGWUYSQIUVRQI-UHFFFAOYSA-N 1 2 366.418 0.626 20 5 FCBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCn2c[nH+]cc2C1 ZINC000292072829 214075761 /nfs/dbraw/zinc/07/57/61/214075761.db2.gz LMHPEOUFQNAGJE-UHFFFAOYSA-N 1 2 355.310 0.430 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1C ZINC000295456247 214297528 /nfs/dbraw/zinc/29/75/28/214297528.db2.gz XUIQZDXXZUGUAS-UHFFFAOYSA-N 1 2 357.432 0.947 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295946690 214325149 /nfs/dbraw/zinc/32/51/49/214325149.db2.gz HDAWYWZTIYGUGR-LLVKDONJSA-N 1 2 368.365 0.818 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000291069429 214011972 /nfs/dbraw/zinc/01/19/72/214011972.db2.gz IPEATDUAHNAFIA-UHFFFAOYSA-N 1 2 359.342 0.572 20 5 FCBDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265439876 210135756 /nfs/dbraw/zinc/13/57/56/210135756.db2.gz ILNZHQVNSZTRPF-AWEZNQCLSA-N 1 2 362.386 0.258 20 5 FCBDLO O=C(C[N@H+]1CCC[C@H](OCCO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265170857 210068148 /nfs/dbraw/zinc/06/81/48/210068148.db2.gz BLADPJPAUGSFEY-NSHDSACASA-N 1 2 367.358 0.735 20 5 FCBDLO O=C(C[N@@H+]1CCC[C@H](OCCO)C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265170857 210068153 /nfs/dbraw/zinc/06/81/53/210068153.db2.gz BLADPJPAUGSFEY-NSHDSACASA-N 1 2 367.358 0.735 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000264264544 209849369 /nfs/dbraw/zinc/84/93/69/209849369.db2.gz QISIPEYTMIJMIV-UHFFFAOYSA-N 1 2 363.418 0.555 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)N1CCCC1 ZINC000285597304 213363821 /nfs/dbraw/zinc/36/38/21/213363821.db2.gz PKGWGYWEIQLPBQ-UHFFFAOYSA-N 1 2 350.379 0.088 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)N1CCCC1 ZINC000285597304 213363823 /nfs/dbraw/zinc/36/38/23/213363823.db2.gz PKGWGYWEIQLPBQ-UHFFFAOYSA-N 1 2 350.379 0.088 20 5 FCBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284447847 213142236 /nfs/dbraw/zinc/14/22/36/213142236.db2.gz ZUVUOAVXKKPEHX-YPMHNXCESA-N 1 2 364.358 0.890 20 5 FCBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284447847 213142239 /nfs/dbraw/zinc/14/22/39/213142239.db2.gz ZUVUOAVXKKPEHX-YPMHNXCESA-N 1 2 364.358 0.890 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000284141063 213083892 /nfs/dbraw/zinc/08/38/92/213083892.db2.gz PUCKBYMRMHTNEO-LSDHHAIUSA-N 1 2 363.370 0.927 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000284141063 213083895 /nfs/dbraw/zinc/08/38/95/213083895.db2.gz PUCKBYMRMHTNEO-LSDHHAIUSA-N 1 2 363.370 0.927 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000283932362 213037616 /nfs/dbraw/zinc/03/76/16/213037616.db2.gz YTBCLKBCFHGVIK-UHFFFAOYSA-N 1 2 371.415 0.450 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000283932362 213037618 /nfs/dbraw/zinc/03/76/18/213037618.db2.gz YTBCLKBCFHGVIK-UHFFFAOYSA-N 1 2 371.415 0.450 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000366652191 216010908 /nfs/dbraw/zinc/01/09/08/216010908.db2.gz KGOSBKQJATULBV-ZDUSSCGKSA-N 1 2 368.415 0.107 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000366652191 216010910 /nfs/dbraw/zinc/01/09/10/216010910.db2.gz KGOSBKQJATULBV-ZDUSSCGKSA-N 1 2 368.415 0.107 20 5 FCBDLO O=C(C[N@@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000368802352 216298749 /nfs/dbraw/zinc/29/87/49/216298749.db2.gz LZALIOBSAGWZST-HNNXBMFYSA-N 1 2 373.413 0.974 20 5 FCBDLO O=C(C[N@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000368802352 216298751 /nfs/dbraw/zinc/29/87/51/216298751.db2.gz LZALIOBSAGWZST-HNNXBMFYSA-N 1 2 373.413 0.974 20 5 FCBDLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000368856371 216308241 /nfs/dbraw/zinc/30/82/41/216308241.db2.gz OQLNOZUTKYSEMD-NSHDSACASA-N 1 2 374.357 0.858 20 5 FCBDLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000368856371 216308243 /nfs/dbraw/zinc/30/82/43/216308243.db2.gz OQLNOZUTKYSEMD-NSHDSACASA-N 1 2 374.357 0.858 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000276795970 212290738 /nfs/dbraw/zinc/29/07/38/212290738.db2.gz KCFRLAMBEFLEGY-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000276795970 212290740 /nfs/dbraw/zinc/29/07/40/212290740.db2.gz KCFRLAMBEFLEGY-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000187960875 209221375 /nfs/dbraw/zinc/22/13/75/209221375.db2.gz HKPCTTPQEAMGAK-ZDUSSCGKSA-N 1 2 357.432 0.466 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000185846699 209181619 /nfs/dbraw/zinc/18/16/19/209181619.db2.gz HKIMVHSZBUNZPD-CYBMUJFWSA-N 1 2 356.448 0.757 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656834 212068506 /nfs/dbraw/zinc/06/85/06/212068506.db2.gz XRYZSEHEBVPJNK-ZLDLUXBVSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656834 212068509 /nfs/dbraw/zinc/06/85/09/212068509.db2.gz XRYZSEHEBVPJNK-ZLDLUXBVSA-N 1 2 354.359 0.333 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275587273 212055985 /nfs/dbraw/zinc/05/59/85/212055985.db2.gz GJKMVOVHGYBXLH-GFCCVEGCSA-N 1 2 364.402 0.675 20 5 FCBDLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000275580752 212055124 /nfs/dbraw/zinc/05/51/24/212055124.db2.gz PVAWZSYYNGSOKW-LLVKDONJSA-N 1 2 367.358 0.999 20 5 FCBDLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000275580752 212055126 /nfs/dbraw/zinc/05/51/26/212055126.db2.gz PVAWZSYYNGSOKW-LLVKDONJSA-N 1 2 367.358 0.999 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000275412028 212022884 /nfs/dbraw/zinc/02/28/84/212022884.db2.gz HCEPFVZRQMEVJU-LLVKDONJSA-N 1 2 351.359 0.505 20 5 FCBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373893056 217071611 /nfs/dbraw/zinc/07/16/11/217071611.db2.gz NVWIQYIJRLKGBO-HNNXBMFYSA-N 1 2 368.415 0.633 20 5 FCBDLO CNC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181867825 209123892 /nfs/dbraw/zinc/12/38/92/209123892.db2.gz NFBLQNIUZVCDQC-LBPRGKRZSA-N 1 2 355.416 0.827 20 5 FCBDLO CNC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181867825 209123895 /nfs/dbraw/zinc/12/38/95/209123895.db2.gz NFBLQNIUZVCDQC-LBPRGKRZSA-N 1 2 355.416 0.827 20 5 FCBDLO NC(=O)C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181940462 209123238 /nfs/dbraw/zinc/12/32/38/209123238.db2.gz NZDDIUPZVUFJBR-LBPRGKRZSA-N 1 2 355.416 0.956 20 5 FCBDLO NC(=O)C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181940462 209123241 /nfs/dbraw/zinc/12/32/41/209123241.db2.gz NZDDIUPZVUFJBR-LBPRGKRZSA-N 1 2 355.416 0.956 20 5 FCBDLO CNC(=O)C1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181521919 209115631 /nfs/dbraw/zinc/11/56/31/209115631.db2.gz DWDXELPWARMNSW-UHFFFAOYSA-N 1 2 355.416 0.827 20 5 FCBDLO CN1C(=O)CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000425076952 247290505 /nfs/dbraw/zinc/29/05/05/247290505.db2.gz SRQHOSFJQJILCL-LLVKDONJSA-N 1 2 357.326 0.658 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443236606 248313548 /nfs/dbraw/zinc/31/35/48/248313548.db2.gz GODDYFYEKLNPSO-OAHLLOKOSA-N 1 2 373.431 0.265 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443235352 248313790 /nfs/dbraw/zinc/31/37/90/248313790.db2.gz CFCKDYAEAOWBFN-HNNXBMFYSA-N 1 2 373.431 0.265 20 5 FCBDLO COc1cc(CN(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271181797 211352568 /nfs/dbraw/zinc/35/25/68/211352568.db2.gz HYXXYWLPHQSRJM-AWEZNQCLSA-N 1 2 369.418 0.737 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270981566 211310420 /nfs/dbraw/zinc/31/04/20/211310420.db2.gz LWMDOCBXPNIWGB-CYBMUJFWSA-N 1 2 374.397 0.908 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000270533819 211218353 /nfs/dbraw/zinc/21/83/53/211218353.db2.gz GNPYSQMYBUCZJX-UHFFFAOYSA-N 1 2 370.431 0.842 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472551332 250160286 /nfs/dbraw/zinc/16/02/86/250160286.db2.gz NMMUZVIFGMDVHS-SNVBAGLBSA-N 1 2 354.338 0.509 20 5 FCBDLO CC(C)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000472553617 250160459 /nfs/dbraw/zinc/16/04/59/250160459.db2.gz XUXSXZGTUUXKHO-UHFFFAOYSA-N 1 2 368.365 0.899 20 5 FCBDLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269831301 211092907 /nfs/dbraw/zinc/09/29/07/211092907.db2.gz CULUAVKDCRGCNR-AWEZNQCLSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269831301 211092909 /nfs/dbraw/zinc/09/29/09/211092909.db2.gz CULUAVKDCRGCNR-AWEZNQCLSA-N 1 2 358.416 0.844 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000269776830 211074745 /nfs/dbraw/zinc/07/47/45/211074745.db2.gz HIJRDVFUQPEGPD-AWEZNQCLSA-N 1 2 373.431 0.217 20 5 FCBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)S1 ZINC000269726228 211055831 /nfs/dbraw/zinc/05/58/31/211055831.db2.gz REROYCOXWSFGCM-LLVKDONJSA-N 1 2 365.415 0.392 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000267561379 210567995 /nfs/dbraw/zinc/56/79/95/210567995.db2.gz AXECNFINUFKYCC-OAHLLOKOSA-N 1 2 366.418 0.472 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000267491505 210551236 /nfs/dbraw/zinc/55/12/36/210551236.db2.gz FBQUMYOOXRQDDZ-UHFFFAOYSA-N 1 2 370.793 0.977 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000065724174 208013724 /nfs/dbraw/zinc/01/37/24/208013724.db2.gz PTRNSHNGUIWNEZ-UHFFFAOYSA-N 1 2 360.374 0.648 20 5 FCBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000088594065 208116823 /nfs/dbraw/zinc/11/68/23/208116823.db2.gz YKPUMHCTPWPYTE-AWEZNQCLSA-N 1 2 350.423 0.420 20 5 FCBDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000088594065 208116827 /nfs/dbraw/zinc/11/68/27/208116827.db2.gz YKPUMHCTPWPYTE-AWEZNQCLSA-N 1 2 350.423 0.420 20 5 FCBDLO COCC[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109151273 208253811 /nfs/dbraw/zinc/25/38/11/208253811.db2.gz RLRLMKYZKOOAQE-UHFFFAOYSA-N 1 2 360.374 0.580 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C)c1[N+](=O)[O-] ZINC000266724732 210391067 /nfs/dbraw/zinc/39/10/67/210391067.db2.gz NCRIWYCJOIRYRY-UHFFFAOYSA-N 1 2 366.422 0.206 20 5 FCBDLO Cc1cc(=O)n(CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000177790681 209036581 /nfs/dbraw/zinc/03/65/81/209036581.db2.gz ZQYKKROGACNFGQ-UHFFFAOYSA-N 1 2 352.391 0.292 20 5 FCBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000180187879 209090393 /nfs/dbraw/zinc/09/03/93/209090393.db2.gz DERPOPCOVYPOOK-OAHLLOKOSA-N 1 2 354.432 0.057 20 5 FCBDLO O=C(CCn1cc[nH+]c1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299685321 488867380 /nfs/dbraw/zinc/86/73/80/488867380.db2.gz UDMSPWHFBWGFPP-UHFFFAOYSA-N 1 2 367.387 0.276 20 5 FCBDLO CC[C@@H](CO)[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301852489 488884590 /nfs/dbraw/zinc/88/45/90/488884590.db2.gz AXXLWLDVMNOFEA-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000301888743 488885359 /nfs/dbraw/zinc/88/53/59/488885359.db2.gz NDIHADLLIZEVOS-RYUDHWBXSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000301888743 488885361 /nfs/dbraw/zinc/88/53/61/488885361.db2.gz NDIHADLLIZEVOS-RYUDHWBXSA-N 1 2 357.432 0.890 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000016738842 487594307 /nfs/dbraw/zinc/59/43/07/487594307.db2.gz TZRHNZPKALGXPC-UHFFFAOYSA-N 1 2 363.418 0.684 20 5 FCBDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026192047 487678310 /nfs/dbraw/zinc/67/83/10/487678310.db2.gz UUPYABCEVDATOP-GFCCVEGCSA-N 1 2 350.375 0.395 20 5 FCBDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000026597467 487683336 /nfs/dbraw/zinc/68/33/36/487683336.db2.gz MVUDSVIINXZDSN-UHFFFAOYSA-N 1 2 362.390 0.442 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029064382 487717071 /nfs/dbraw/zinc/71/70/71/487717071.db2.gz GLPHAFDRGHNQCV-UHFFFAOYSA-N 1 2 363.418 0.263 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046886292 487997609 /nfs/dbraw/zinc/99/76/09/487997609.db2.gz HVVYRJJEIWGLNH-CHWSQXEVSA-N 1 2 364.402 0.550 20 5 FCBDLO COc1ccc([C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)c2[nH+]ccn2C)cc1 ZINC000048223631 488063653 /nfs/dbraw/zinc/06/36/53/488063653.db2.gz MUUPQQIIUPCFRS-CQSZACIVSA-N 1 2 371.357 0.834 20 5 FCBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000048246063 488064785 /nfs/dbraw/zinc/06/47/85/488064785.db2.gz NCSUXAKZZHHVRK-ZDUSSCGKSA-N 1 2 359.321 0.965 20 5 FCBDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844741 488184168 /nfs/dbraw/zinc/18/41/68/488184168.db2.gz RMINZVAQZJVEFS-GFCCVEGCSA-N 1 2 350.375 0.395 20 5 FCBDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899482 488247692 /nfs/dbraw/zinc/24/76/92/488247692.db2.gz JTFDPDMQMYCZLQ-AWEZNQCLSA-N 1 2 351.359 0.727 20 5 FCBDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899482 488247693 /nfs/dbraw/zinc/24/76/93/488247693.db2.gz JTFDPDMQMYCZLQ-AWEZNQCLSA-N 1 2 351.359 0.727 20 5 FCBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000057061584 488265452 /nfs/dbraw/zinc/26/54/52/488265452.db2.gz PVFVBNDKMBVIBP-UHFFFAOYSA-N 1 2 356.386 0.937 20 5 FCBDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065209151 488316384 /nfs/dbraw/zinc/31/63/84/488316384.db2.gz ULAJABODPQFFLX-UHFFFAOYSA-N 1 2 364.402 0.642 20 5 FCBDLO CCOC(=O)c1cc(N2CC[NH+](CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000268150925 488390475 /nfs/dbraw/zinc/39/04/75/488390475.db2.gz KSWSHPWMWPKSDB-UHFFFAOYSA-N 1 2 350.375 0.640 20 5 FCBDLO O=C(N1CCCCC1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588212 488397453 /nfs/dbraw/zinc/39/74/53/488397453.db2.gz XNFSBXYKHFAXHO-OAHLLOKOSA-N 1 2 366.422 0.376 20 5 FCBDLO COc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268253571 488401545 /nfs/dbraw/zinc/40/15/45/488401545.db2.gz KRMSGZZBXLSKKD-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO COc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000268253571 488401550 /nfs/dbraw/zinc/40/15/50/488401550.db2.gz KRMSGZZBXLSKKD-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000077616109 488415918 /nfs/dbraw/zinc/41/59/18/488415918.db2.gz WLWMBYFNEOQWIV-ZDUSSCGKSA-N 1 2 356.448 0.757 20 5 FCBDLO COCC[NH+]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000192526712 488422751 /nfs/dbraw/zinc/42/27/51/488422751.db2.gz HGCHENDUROIEBY-UHFFFAOYSA-N 1 2 374.401 0.888 20 5 FCBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCn1cc[nH+]c1 ZINC000082251305 488446216 /nfs/dbraw/zinc/44/62/16/488446216.db2.gz FVFGMMFMPJDOLI-UHFFFAOYSA-N 1 2 357.326 0.594 20 5 FCBDLO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083245985 488447182 /nfs/dbraw/zinc/44/71/82/488447182.db2.gz LBEWVHGHIFYYFU-CYBMUJFWSA-N 1 2 350.375 0.861 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000245970870 488468012 /nfs/dbraw/zinc/46/80/12/488468012.db2.gz WJNPWYWBQAAHPF-KBPBESRZSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000245970870 488468013 /nfs/dbraw/zinc/46/80/13/488468013.db2.gz WJNPWYWBQAAHPF-KBPBESRZSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249492446 488510468 /nfs/dbraw/zinc/51/04/68/488510468.db2.gz FOKBHHHKFXHBQT-KGLIPLIRSA-N 1 2 371.459 0.755 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249492446 488510470 /nfs/dbraw/zinc/51/04/70/488510470.db2.gz FOKBHHHKFXHBQT-KGLIPLIRSA-N 1 2 371.459 0.755 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261954931 488543521 /nfs/dbraw/zinc/54/35/21/488543521.db2.gz GOVYJMUTMAUPDI-CYBMUJFWSA-N 1 2 365.415 0.972 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000262012298 488545915 /nfs/dbraw/zinc/54/59/15/488545915.db2.gz MIKCKDDXPBEWIJ-CQSZACIVSA-N 1 2 365.415 0.972 20 5 FCBDLO NC(=O)[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000117337338 488551025 /nfs/dbraw/zinc/55/10/25/488551025.db2.gz WKCOAURPPHBMQC-CYBMUJFWSA-N 1 2 350.331 0.079 20 5 FCBDLO NC(=O)[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000117337338 488551027 /nfs/dbraw/zinc/55/10/27/488551027.db2.gz WKCOAURPPHBMQC-CYBMUJFWSA-N 1 2 350.331 0.079 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000271950755 488555244 /nfs/dbraw/zinc/55/52/44/488555244.db2.gz AXAWZWRHXXDTMS-UHFFFAOYSA-N 1 2 364.402 0.493 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000122425731 488578181 /nfs/dbraw/zinc/57/81/81/488578181.db2.gz OLBICHPIXXUORB-CHWSQXEVSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000122425731 488578182 /nfs/dbraw/zinc/57/81/82/488578182.db2.gz OLBICHPIXXUORB-CHWSQXEVSA-N 1 2 357.432 0.812 20 5 FCBDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000272979709 488622122 /nfs/dbraw/zinc/62/21/22/488622122.db2.gz AQQINHRLUCFZGS-CHWSQXEVSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000272979709 488622123 /nfs/dbraw/zinc/62/21/23/488622123.db2.gz AQQINHRLUCFZGS-CHWSQXEVSA-N 1 2 354.359 0.598 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000263797164 488627505 /nfs/dbraw/zinc/62/75/05/488627505.db2.gz NHIOYRJQTJWBQP-UHFFFAOYSA-N 1 2 366.422 0.079 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000263880012 488633513 /nfs/dbraw/zinc/63/35/13/488633513.db2.gz WNTFCAZMAKLNFB-AWEZNQCLSA-N 1 2 369.337 0.800 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000273160856 488635654 /nfs/dbraw/zinc/63/56/54/488635654.db2.gz NOBCWFCFLASAHT-KBPBESRZSA-N 1 2 370.427 0.986 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000273160856 488635657 /nfs/dbraw/zinc/63/56/57/488635657.db2.gz NOBCWFCFLASAHT-KBPBESRZSA-N 1 2 370.427 0.986 20 5 FCBDLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131744043 488648142 /nfs/dbraw/zinc/64/81/42/488648142.db2.gz FJYUIYCYVVXOCB-SNVBAGLBSA-N 1 2 364.387 0.582 20 5 FCBDLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131744043 488648145 /nfs/dbraw/zinc/64/81/45/488648145.db2.gz FJYUIYCYVVXOCB-SNVBAGLBSA-N 1 2 364.387 0.582 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273591382 488660756 /nfs/dbraw/zinc/66/07/56/488660756.db2.gz JACJZQNDBPKIIG-CQSZACIVSA-N 1 2 373.431 0.050 20 5 FCBDLO O=C(C[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000136869890 488679076 /nfs/dbraw/zinc/67/90/76/488679076.db2.gz CTCYZVCCAYGRKY-KRWDZBQOSA-N 1 2 362.430 0.868 20 5 FCBDLO O=C(CN1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000136869890 488679079 /nfs/dbraw/zinc/67/90/79/488679079.db2.gz CTCYZVCCAYGRKY-KRWDZBQOSA-N 1 2 362.430 0.868 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000274223100 488691442 /nfs/dbraw/zinc/69/14/42/488691442.db2.gz VLIFOALCSPGSOY-OLZOCXBDSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000274223100 488691443 /nfs/dbraw/zinc/69/14/43/488691443.db2.gz VLIFOALCSPGSOY-OLZOCXBDSA-N 1 2 358.416 0.844 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264662812 488696003 /nfs/dbraw/zinc/69/60/03/488696003.db2.gz VZPWSZGLNSXFIM-UHFFFAOYSA-N 1 2 365.386 0.471 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)c2ncccc12 ZINC000274296460 488696616 /nfs/dbraw/zinc/69/66/16/488696616.db2.gz MNNSAQKXVRGLFT-UHFFFAOYSA-N 1 2 366.399 0.442 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000274305660 488696982 /nfs/dbraw/zinc/69/69/82/488696982.db2.gz VCXBMHJEYDLIMT-UHFFFAOYSA-N 1 2 364.402 0.941 20 5 FCBDLO CC(=O)NCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000150077252 488697947 /nfs/dbraw/zinc/69/79/47/488697947.db2.gz PZUOYFXUWHWCMU-UHFFFAOYSA-N 1 2 370.431 0.427 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000266165881 488724214 /nfs/dbraw/zinc/72/42/14/488724214.db2.gz IGECIEQRCDXVGK-CYBMUJFWSA-N 1 2 355.416 0.938 20 5 FCBDLO CC(C)NC(=O)CN1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153724436 488734914 /nfs/dbraw/zinc/73/49/14/488734914.db2.gz RFJXIQNMFGKOJO-INIZCTEOSA-N 1 2 350.419 0.770 20 5 FCBDLO NC(=O)c1cccnc1N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154501785 488744212 /nfs/dbraw/zinc/74/42/12/488744212.db2.gz JIMHTAWHPYJOTK-MRXNPFEDSA-N 1 2 371.397 0.944 20 5 FCBDLO COC(=O)c1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000275106446 488762407 /nfs/dbraw/zinc/76/24/07/488762407.db2.gz BDBKERWUHCZREI-NSHDSACASA-N 1 2 351.359 0.520 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157590907 488772545 /nfs/dbraw/zinc/77/25/45/488772545.db2.gz ZEWBQSRRYWDERX-OAHLLOKOSA-N 1 2 364.450 0.810 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157590907 488772547 /nfs/dbraw/zinc/77/25/47/488772547.db2.gz ZEWBQSRRYWDERX-OAHLLOKOSA-N 1 2 364.450 0.810 20 5 FCBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000161426584 488796530 /nfs/dbraw/zinc/79/65/30/488796530.db2.gz UCPJJWDIIBXALS-AWEZNQCLSA-N 1 2 365.438 0.213 20 5 FCBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000278080178 488799276 /nfs/dbraw/zinc/79/92/76/488799276.db2.gz XTAZVIIMMBYHJC-UHFFFAOYSA-N 1 2 372.385 0.770 20 5 FCBDLO C[NH+](C)Cc1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000278080122 488799288 /nfs/dbraw/zinc/79/92/88/488799288.db2.gz NRXPRBJETFIBKW-UHFFFAOYSA-N 1 2 363.330 0.992 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000267575159 488799862 /nfs/dbraw/zinc/79/98/62/488799862.db2.gz FHGHTQRNVGADQH-INIZCTEOSA-N 1 2 366.418 0.472 20 5 FCBDLO CNC(=O)c1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000267584153 488800887 /nfs/dbraw/zinc/80/08/87/488800887.db2.gz ZOAFIWHADUWAOC-ZDUSSCGKSA-N 1 2 352.391 0.084 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267664380 488810788 /nfs/dbraw/zinc/81/07/88/488810788.db2.gz KRBPWXSCXSQCTQ-GFCCVEGCSA-N 1 2 363.374 0.236 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCCO)CC1 ZINC000170870732 488817274 /nfs/dbraw/zinc/81/72/74/488817274.db2.gz MKWUTIWTEKAQCZ-UHFFFAOYSA-N 1 2 357.432 0.982 20 5 FCBDLO O=C(CCc1c[nH+]c[nH]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280226528 488991328 /nfs/dbraw/zinc/99/13/28/488991328.db2.gz SCRQVJRKPZYFBL-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO O=C(CCc1c[nH]c[nH+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280226528 488991331 /nfs/dbraw/zinc/99/13/31/488991331.db2.gz SCRQVJRKPZYFBL-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000280555076 489017944 /nfs/dbraw/zinc/01/79/44/489017944.db2.gz NEVCVTYURGTMRH-UHFFFAOYSA-N 1 2 364.402 0.562 20 5 FCBDLO O=C(Cn1cnnn1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000289736754 489089501 /nfs/dbraw/zinc/08/95/01/489089501.db2.gz IFPGDEPIFMCECK-HWKANZROSA-N 1 2 357.374 0.439 20 5 FCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000330755033 489140225 /nfs/dbraw/zinc/14/02/25/489140225.db2.gz FTBGNYQWAICUHN-OAHLLOKOSA-N 1 2 356.448 0.303 20 5 FCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000330755033 489140229 /nfs/dbraw/zinc/14/02/29/489140229.db2.gz FTBGNYQWAICUHN-OAHLLOKOSA-N 1 2 356.448 0.303 20 5 FCBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1 ZINC000283592530 489278800 /nfs/dbraw/zinc/27/88/00/489278800.db2.gz XOKDQDBMTXYVGC-UHFFFAOYSA-N 1 2 364.402 0.887 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000298614369 489344621 /nfs/dbraw/zinc/34/46/21/489344621.db2.gz MODKUVIVQLUKAV-UHFFFAOYSA-N 1 2 350.375 0.287 20 5 FCBDLO CSc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000361742945 489364413 /nfs/dbraw/zinc/36/44/13/489364413.db2.gz HYFXLBCTSNUVCU-UHFFFAOYSA-N 1 2 352.416 0.950 20 5 FCBDLO CSc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000361742945 489364415 /nfs/dbraw/zinc/36/44/15/489364415.db2.gz HYFXLBCTSNUVCU-UHFFFAOYSA-N 1 2 352.416 0.950 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361751231 489365031 /nfs/dbraw/zinc/36/50/31/489365031.db2.gz LVNOVVCJEIUAKI-CYBMUJFWSA-N 1 2 356.404 0.181 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361751231 489365033 /nfs/dbraw/zinc/36/50/33/489365033.db2.gz LVNOVVCJEIUAKI-CYBMUJFWSA-N 1 2 356.404 0.181 20 5 FCBDLO NS(=O)(=O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000362466691 489388032 /nfs/dbraw/zinc/38/80/32/489388032.db2.gz CEORRCKOXOFWRJ-UHFFFAOYSA-N 1 2 368.415 0.237 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000299443991 489442119 /nfs/dbraw/zinc/44/21/19/489442119.db2.gz XKWDEXMZCIEVBH-RISCZKNCSA-N 1 2 350.375 0.160 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000299443991 489442122 /nfs/dbraw/zinc/44/21/22/489442122.db2.gz XKWDEXMZCIEVBH-RISCZKNCSA-N 1 2 350.375 0.160 20 5 FCBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451803465 489524979 /nfs/dbraw/zinc/52/49/79/489524979.db2.gz QKROYUXTXJBEOZ-LBPRGKRZSA-N 1 2 358.345 0.992 20 5 FCBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451803465 489524982 /nfs/dbraw/zinc/52/49/82/489524982.db2.gz QKROYUXTXJBEOZ-LBPRGKRZSA-N 1 2 358.345 0.992 20 5 FCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000456220760 489611546 /nfs/dbraw/zinc/61/15/46/489611546.db2.gz XKMWOAIGXJIJAG-GASCZTMLSA-N 1 2 372.385 0.769 20 5 FCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000456220760 489611547 /nfs/dbraw/zinc/61/15/47/489611547.db2.gz XKMWOAIGXJIJAG-GASCZTMLSA-N 1 2 372.385 0.769 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416578029 489612903 /nfs/dbraw/zinc/61/29/03/489612903.db2.gz GDINJSFDUIWIOH-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416578029 489612904 /nfs/dbraw/zinc/61/29/04/489612904.db2.gz GDINJSFDUIWIOH-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000427648594 489616443 /nfs/dbraw/zinc/61/64/43/489616443.db2.gz ZSYIZKXRNBIKJP-MRXNPFEDSA-N 1 2 353.375 0.416 20 5 FCBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428345590 489645495 /nfs/dbraw/zinc/64/54/95/489645495.db2.gz FGLIJOGUQCPMJW-SNVBAGLBSA-N 1 2 369.337 0.519 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428779456 489664100 /nfs/dbraw/zinc/66/41/00/489664100.db2.gz FSOZQRUKFLZAEJ-LBPRGKRZSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428779456 489664105 /nfs/dbraw/zinc/66/41/05/489664105.db2.gz FSOZQRUKFLZAEJ-LBPRGKRZSA-N 1 2 370.431 0.807 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475101012 489806274 /nfs/dbraw/zinc/80/62/74/489806274.db2.gz BDYINSIYZZKATO-LBPRGKRZSA-N 1 2 366.374 0.650 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475101012 489806277 /nfs/dbraw/zinc/80/62/77/489806277.db2.gz BDYINSIYZZKATO-LBPRGKRZSA-N 1 2 366.374 0.650 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494735621 489910665 /nfs/dbraw/zinc/91/06/65/489910665.db2.gz PJALOYIEYQVARR-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494735621 489910669 /nfs/dbraw/zinc/91/06/69/489910669.db2.gz PJALOYIEYQVARR-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420579422 489998361 /nfs/dbraw/zinc/99/83/61/489998361.db2.gz AWJJJDRKAVBTJE-NSHDSACASA-N 1 2 361.402 0.483 20 5 FCBDLO CNc1c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000462992955 489999007 /nfs/dbraw/zinc/99/90/07/489999007.db2.gz SKYZGIUZNOHHOH-UHFFFAOYSA-N 1 2 359.390 0.686 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437977986 490030978 /nfs/dbraw/zinc/03/09/78/490030978.db2.gz LHXGXXXJHYPLCR-CABCVRRESA-N 1 2 372.385 0.298 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437977986 490030983 /nfs/dbraw/zinc/03/09/83/490030983.db2.gz LHXGXXXJHYPLCR-CABCVRRESA-N 1 2 372.385 0.298 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000421006173 490042582 /nfs/dbraw/zinc/04/25/82/490042582.db2.gz GVZPMOAZWOWSAY-AWEZNQCLSA-N 1 2 370.431 0.474 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000421006173 490042585 /nfs/dbraw/zinc/04/25/85/490042585.db2.gz GVZPMOAZWOWSAY-AWEZNQCLSA-N 1 2 370.431 0.474 20 5 FCBDLO Cc1nn(C)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000478949477 490056096 /nfs/dbraw/zinc/05/60/96/490056096.db2.gz ACDWAFPALMXAQZ-CYBMUJFWSA-N 1 2 367.406 0.200 20 5 FCBDLO COc1cccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000444279382 490081095 /nfs/dbraw/zinc/08/10/95/490081095.db2.gz VZQZHLTXVMQIKB-GFCCVEGCSA-N 1 2 353.375 0.369 20 5 FCBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)cc1 ZINC000506498290 490099903 /nfs/dbraw/zinc/09/99/03/490099903.db2.gz CVDRKMXRGAHGTL-UHFFFAOYSA-N 1 2 358.358 0.375 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000506572112 490106444 /nfs/dbraw/zinc/10/64/44/490106444.db2.gz VVXWZJKBLDQWKX-UHFFFAOYSA-N 1 2 366.418 0.866 20 5 FCBDLO CN(CC(=O)NCc1c[nH+]c[nH]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479600589 490106731 /nfs/dbraw/zinc/10/67/31/490106731.db2.gz KMVRBJBAQVMOQQ-UHFFFAOYSA-N 1 2 353.360 0.255 20 5 FCBDLO CN(CC(=O)NCc1c[nH]c[nH+]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479600589 490106735 /nfs/dbraw/zinc/10/67/35/490106735.db2.gz KMVRBJBAQVMOQQ-UHFFFAOYSA-N 1 2 353.360 0.255 20 5 FCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1c[nH+]c[nH]1 ZINC000479594145 490106878 /nfs/dbraw/zinc/10/68/78/490106878.db2.gz QFTOFBMRJICXLF-UHFFFAOYSA-N 1 2 353.360 0.303 20 5 FCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1c[nH]c[nH+]1 ZINC000479594145 490106881 /nfs/dbraw/zinc/10/68/81/490106881.db2.gz QFTOFBMRJICXLF-UHFFFAOYSA-N 1 2 353.360 0.303 20 5 FCBDLO Cc1c(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000480059398 490155590 /nfs/dbraw/zinc/15/55/90/490155590.db2.gz MWTVPFMIALMEFC-UHFFFAOYSA-N 1 2 363.418 0.994 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467001006 490237861 /nfs/dbraw/zinc/23/78/61/490237861.db2.gz CYACGQPLFUWAQB-GWCFXTLKSA-N 1 2 361.358 0.230 20 5 FCBDLO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467001006 490237866 /nfs/dbraw/zinc/23/78/66/490237866.db2.gz CYACGQPLFUWAQB-GWCFXTLKSA-N 1 2 361.358 0.230 20 5 FCBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)S(N)(=O)=O ZINC000507691080 490250201 /nfs/dbraw/zinc/25/02/01/490250201.db2.gz YNKSOCPLEJLZCU-VIFPVBQESA-N 1 2 353.360 0.187 20 5 FCBDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000521355946 490250959 /nfs/dbraw/zinc/25/09/59/490250959.db2.gz OHKFUYNYVGTTTO-UHFFFAOYSA-N 1 2 357.370 0.872 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000498069599 490255714 /nfs/dbraw/zinc/25/57/14/490255714.db2.gz JPVSSVOPKKHREE-UHFFFAOYSA-N 1 2 355.416 0.741 20 5 FCBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000533831435 490290264 /nfs/dbraw/zinc/29/02/64/490290264.db2.gz ORUNKFZRIOUGGP-UHFFFAOYSA-N 1 2 369.443 0.657 20 5 FCBDLO COCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448723255 490375114 /nfs/dbraw/zinc/37/51/14/490375114.db2.gz SLQPPUWODXFPMK-UHFFFAOYSA-N 1 2 373.369 0.711 20 5 FCBDLO O=C(NCCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448934904 490388399 /nfs/dbraw/zinc/38/83/99/490388399.db2.gz FQNBOILLCYDCNM-UHFFFAOYSA-N 1 2 372.341 0.452 20 5 FCBDLO C[C@H](CS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448983282 490394587 /nfs/dbraw/zinc/39/45/87/490394587.db2.gz GOEPUFQXGUUEHY-SNVBAGLBSA-N 1 2 352.372 0.943 20 5 FCBDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548043095 490412742 /nfs/dbraw/zinc/41/27/42/490412742.db2.gz JVXQBIQCSDASGE-NSHDSACASA-N 1 2 358.420 0.456 20 5 FCBDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548043095 490412744 /nfs/dbraw/zinc/41/27/44/490412744.db2.gz JVXQBIQCSDASGE-NSHDSACASA-N 1 2 358.420 0.456 20 5 FCBDLO Cc1nc(C)n(C[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)n1 ZINC000534870025 490420606 /nfs/dbraw/zinc/42/06/06/490420606.db2.gz MRVSUYBARIAPAA-HNNXBMFYSA-N 1 2 362.390 0.366 20 5 FCBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)n1 ZINC000534870025 490420612 /nfs/dbraw/zinc/42/06/12/490420612.db2.gz MRVSUYBARIAPAA-HNNXBMFYSA-N 1 2 362.390 0.366 20 5 FCBDLO Cc1nc(C)n(C[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)n1 ZINC000534870028 490421458 /nfs/dbraw/zinc/42/14/58/490421458.db2.gz MRVSUYBARIAPAA-OAHLLOKOSA-N 1 2 362.390 0.366 20 5 FCBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)n1 ZINC000534870028 490421462 /nfs/dbraw/zinc/42/14/62/490421462.db2.gz MRVSUYBARIAPAA-OAHLLOKOSA-N 1 2 362.390 0.366 20 5 FCBDLO COc1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000450208916 490449920 /nfs/dbraw/zinc/44/99/20/490449920.db2.gz QTVBPBCNVMXKMC-UHFFFAOYSA-N 1 2 354.338 0.294 20 5 FCBDLO COc1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000450208916 490449925 /nfs/dbraw/zinc/44/99/25/490449925.db2.gz QTVBPBCNVMXKMC-UHFFFAOYSA-N 1 2 354.338 0.294 20 5 FCBDLO CCOC(=O)[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450597195 490477258 /nfs/dbraw/zinc/47/72/58/490477258.db2.gz VHOAAXLYAXMQGZ-MRXNPFEDSA-N 1 2 362.342 0.824 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)s1 ZINC000500133139 490486981 /nfs/dbraw/zinc/48/69/81/490486981.db2.gz CDBFMZFZYQNFOJ-UHFFFAOYSA-N 1 2 357.417 0.886 20 5 FCBDLO COC(=O)[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+](C)C1 ZINC000413916771 490516394 /nfs/dbraw/zinc/51/63/94/490516394.db2.gz JIRVLHVESISCBR-JTQLQIEISA-N 1 2 361.358 0.648 20 5 FCBDLO COC(=O)[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)C1 ZINC000413916771 490516401 /nfs/dbraw/zinc/51/64/01/490516401.db2.gz JIRVLHVESISCBR-JTQLQIEISA-N 1 2 361.358 0.648 20 5 FCBDLO C[C@H]1CN(c2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)c[nH+]2)CCO1 ZINC000501098595 490578529 /nfs/dbraw/zinc/57/85/29/490578529.db2.gz HIPMCSUECOEZTH-NSHDSACASA-N 1 2 360.374 0.878 20 5 FCBDLO COc1ccc(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000536547125 490590241 /nfs/dbraw/zinc/59/02/41/490590241.db2.gz JSOBWIGIXDWSIH-UHFFFAOYSA-N 1 2 350.375 0.084 20 5 FCBDLO COc1ccc(CC(=O)NCCC[N@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000536547125 490590245 /nfs/dbraw/zinc/59/02/45/490590245.db2.gz JSOBWIGIXDWSIH-UHFFFAOYSA-N 1 2 350.375 0.084 20 5 FCBDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000511878216 490633270 /nfs/dbraw/zinc/63/32/70/490633270.db2.gz XEMMHPVJBLRYAU-CQSZACIVSA-N 1 2 364.402 0.763 20 5 FCBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501723941 490637667 /nfs/dbraw/zinc/63/76/67/490637667.db2.gz MEGNIIDPAVJFJM-CYBMUJFWSA-N 1 2 373.417 0.664 20 5 FCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000503537882 490761912 /nfs/dbraw/zinc/76/19/12/490761912.db2.gz SYMIXINRBZQOJK-UHFFFAOYSA-N 1 2 367.387 0.276 20 5 FCBDLO NS(=O)(=O)CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000504329677 490795676 /nfs/dbraw/zinc/79/56/76/490795676.db2.gz PMKGPPJIUYETLQ-UHFFFAOYSA-N 1 2 367.387 0.579 20 5 FCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562628763 491177367 /nfs/dbraw/zinc/17/73/67/491177367.db2.gz MVUKTGBBWMYETF-BETUJISGSA-N 1 2 363.370 0.959 20 5 FCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562628763 491177369 /nfs/dbraw/zinc/17/73/69/491177369.db2.gz MVUKTGBBWMYETF-BETUJISGSA-N 1 2 363.370 0.959 20 5 FCBDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000560205100 491524225 /nfs/dbraw/zinc/52/42/25/491524225.db2.gz WTSASERCUXJVQC-KBPBESRZSA-N 1 2 366.349 0.604 20 5 FCBDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000560205100 491524229 /nfs/dbraw/zinc/52/42/29/491524229.db2.gz WTSASERCUXJVQC-KBPBESRZSA-N 1 2 366.349 0.604 20 5 FCBDLO CNC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000575119741 491540214 /nfs/dbraw/zinc/54/02/14/491540214.db2.gz GLUNCZOHBANEDQ-UHFFFAOYSA-N 1 2 370.431 0.427 20 5 FCBDLO CNc1nccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000575346052 491549890 /nfs/dbraw/zinc/54/98/90/491549890.db2.gz NJHUAIPBJHIUNV-UHFFFAOYSA-N 1 2 372.385 1.193 20 5 FCBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc([N+](=O)[O-])nn2C)cn1 ZINC000568047322 491550096 /nfs/dbraw/zinc/55/00/96/491550096.db2.gz KPIQZBQSTNCFOA-UHFFFAOYSA-N 1 2 358.362 0.601 20 5 FCBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)Cn2ccc([N+](=O)[O-])n2)cn1 ZINC000561694618 491625876 /nfs/dbraw/zinc/62/58/76/491625876.db2.gz PSWCGFLJBYUNPV-UHFFFAOYSA-N 1 2 358.362 0.450 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000578578812 491680242 /nfs/dbraw/zinc/68/02/42/491680242.db2.gz NCQPAIRLTJHBTL-LLVKDONJSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000578578812 491680243 /nfs/dbraw/zinc/68/02/43/491680243.db2.gz NCQPAIRLTJHBTL-LLVKDONJSA-N 1 2 358.420 0.765 20 5 FCBDLO CN1C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000585797583 491728750 /nfs/dbraw/zinc/72/87/50/491728750.db2.gz DTAXVDNWAIDBEV-ILXRZTDVSA-N 1 2 359.386 0.798 20 5 FCBDLO CN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000585797583 491728751 /nfs/dbraw/zinc/72/87/51/491728751.db2.gz DTAXVDNWAIDBEV-ILXRZTDVSA-N 1 2 359.386 0.798 20 5 FCBDLO CNc1nccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000582190297 491801820 /nfs/dbraw/zinc/80/18/20/491801820.db2.gz QEKDPDWAGDWQJD-TXEJJXNPSA-N 1 2 351.407 1.213 20 5 FCBDLO CNc1nccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000582190297 491801822 /nfs/dbraw/zinc/80/18/22/491801822.db2.gz QEKDPDWAGDWQJD-TXEJJXNPSA-N 1 2 351.407 1.213 20 5 FCBDLO COc1c(N)[nH+]cnc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000582735794 491824722 /nfs/dbraw/zinc/82/47/22/491824722.db2.gz OOGDGDILMCLJGD-UHFFFAOYSA-N 1 2 358.358 0.938 20 5 FCBDLO COc1c(N)nc[nH+]c1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000582735794 491824723 /nfs/dbraw/zinc/82/47/23/491824723.db2.gz OOGDGDILMCLJGD-UHFFFAOYSA-N 1 2 358.358 0.938 20 5 FCBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596074064 491974671 /nfs/dbraw/zinc/97/46/71/491974671.db2.gz XSYDPVVRUNMTIV-GFCCVEGCSA-N 1 2 363.418 0.730 20 5 FCBDLO Cn1c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000603612488 492038739 /nfs/dbraw/zinc/03/87/39/492038739.db2.gz OPFSMWXBPDXRRP-HNNXBMFYSA-N 1 2 354.432 0.871 20 5 FCBDLO Cc1c(C(=O)N[C@H](C)C[NH+]2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000603672624 492040075 /nfs/dbraw/zinc/04/00/75/492040075.db2.gz ROEZXNXTIGXOQC-GFCCVEGCSA-N 1 2 374.401 0.934 20 5 FCBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000603954284 492048124 /nfs/dbraw/zinc/04/81/24/492048124.db2.gz YQGVBCGOXRQQMJ-UHFFFAOYSA-N 1 2 372.385 0.818 20 5 FCBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)CO ZINC000597847265 492070598 /nfs/dbraw/zinc/07/05/98/492070598.db2.gz PEAYOTSAAGREBW-CQSZACIVSA-N 1 2 363.374 0.366 20 5 FCBDLO C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1[nH+]ccn1C ZINC000598460634 492100122 /nfs/dbraw/zinc/10/01/22/492100122.db2.gz UOGZPRSVDLFBQM-VIFPVBQESA-N 1 2 357.326 0.802 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)c1[N+](=O)[O-] ZINC000598607027 492108221 /nfs/dbraw/zinc/10/82/21/492108221.db2.gz KXLGQAOMULTGCJ-LBPRGKRZSA-N 1 2 357.432 0.899 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000598962922 492127370 /nfs/dbraw/zinc/12/73/70/492127370.db2.gz JPROLXGOEVZFRF-UHFFFAOYSA-N 1 2 363.349 0.982 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646344 492196115 /nfs/dbraw/zinc/19/61/15/492196115.db2.gz HWGLUEVMRREJFT-SNVBAGLBSA-N 1 2 371.419 0.179 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599645522 492196179 /nfs/dbraw/zinc/19/61/79/492196179.db2.gz APKFIGVPFCFZPM-JTQLQIEISA-N 1 2 371.419 0.179 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000609227230 492200735 /nfs/dbraw/zinc/20/07/35/492200735.db2.gz LTFNQWAJBPWCIU-NSHDSACASA-N 1 2 366.374 0.379 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000609227230 492200736 /nfs/dbraw/zinc/20/07/36/492200736.db2.gz LTFNQWAJBPWCIU-NSHDSACASA-N 1 2 366.374 0.379 20 5 FCBDLO Cn1cc(N2CC[C@@H]([NH+]3CCN(c4ccc([N+](=O)[O-])nc4)CC3)C2=O)cn1 ZINC000609538897 492212997 /nfs/dbraw/zinc/21/29/97/492212997.db2.gz IOBGQCPGCVWDNP-OAHLLOKOSA-N 1 2 371.401 0.651 20 5 FCBDLO CC(C)(CO)[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000609839734 492224176 /nfs/dbraw/zinc/22/41/76/492224176.db2.gz HOINPSXECDKZPO-UHFFFAOYSA-N 1 2 357.432 0.891 20 5 FCBDLO CCC(CC)C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335787 492242831 /nfs/dbraw/zinc/24/28/31/492242831.db2.gz QBVTZGTYKVCNEW-HNNXBMFYSA-N 1 2 353.423 0.733 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610462587 492247426 /nfs/dbraw/zinc/24/74/26/492247426.db2.gz BIHUQCALJIBCSL-OAHLLOKOSA-N 1 2 362.386 0.857 20 5 FCBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000610476209 492248284 /nfs/dbraw/zinc/24/82/84/492248284.db2.gz VUQSJJYTUOISOU-UHFFFAOYSA-N 1 2 364.450 0.849 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287477 492284260 /nfs/dbraw/zinc/28/42/60/492284260.db2.gz ODYVQQDRXJKIRK-NSHDSACASA-N 1 2 357.388 0.490 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287477 492284261 /nfs/dbraw/zinc/28/42/61/492284261.db2.gz ODYVQQDRXJKIRK-NSHDSACASA-N 1 2 357.388 0.490 20 5 FCBDLO CC[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000428064463 536145422 /nfs/dbraw/zinc/14/54/22/536145422.db2.gz QCMHHLBTBIGBIH-HNNXBMFYSA-N 1 2 364.402 0.552 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000428064463 536145428 /nfs/dbraw/zinc/14/54/28/536145428.db2.gz QCMHHLBTBIGBIH-HNNXBMFYSA-N 1 2 364.402 0.552 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593508491 546969606 /nfs/dbraw/zinc/96/96/06/546969606.db2.gz HAJYQWAUPHPHOF-AWEZNQCLSA-N 1 2 355.366 0.428 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593885879 546994442 /nfs/dbraw/zinc/99/44/42/546994442.db2.gz DOEJOPVLELWNII-UHFFFAOYSA-N 1 2 351.403 0.945 20 5 FCBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)C(F)(F)F ZINC000594018284 546995482 /nfs/dbraw/zinc/99/54/82/546995482.db2.gz VBCKAUAKUNALCW-NSHDSACASA-N 1 2 353.297 0.628 20 5 FCBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)C(F)(F)F ZINC000594018284 546995487 /nfs/dbraw/zinc/99/54/87/546995487.db2.gz VBCKAUAKUNALCW-NSHDSACASA-N 1 2 353.297 0.628 20 5 FCBDLO NC(=O)c1csc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000594730026 547004033 /nfs/dbraw/zinc/00/40/33/547004033.db2.gz AKKTZZMJVKRRFA-VIFPVBQESA-N 1 2 352.372 0.680 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000552218110 547324520 /nfs/dbraw/zinc/32/45/20/547324520.db2.gz GFGRAOZBTJKUAC-UHFFFAOYSA-N 1 2 352.395 0.381 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000552218110 547324523 /nfs/dbraw/zinc/32/45/23/547324523.db2.gz GFGRAOZBTJKUAC-UHFFFAOYSA-N 1 2 352.395 0.381 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000825942078 607597289 /nfs/dbraw/zinc/59/72/89/607597289.db2.gz VIMROOIYYJUVGR-UHFFFAOYSA-N 1 2 367.391 0.147 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CC1 ZINC000825942078 607597291 /nfs/dbraw/zinc/59/72/91/607597291.db2.gz VIMROOIYYJUVGR-UHFFFAOYSA-N 1 2 367.391 0.147 20 5 FCBDLO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000820769531 606225482 /nfs/dbraw/zinc/22/54/82/606225482.db2.gz VIPIVLGRUKVGDW-IAQYHMDHSA-N 1 2 359.390 0.932 20 5 FCBDLO CC(C)n1nnnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430582 665166615 /nfs/dbraw/zinc/16/66/15/665166615.db2.gz FTFSALGIPLLBCZ-CHWSQXEVSA-N 1 2 351.411 0.342 20 5 FCBDLO CC(C)n1nnnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430582 665166616 /nfs/dbraw/zinc/16/66/16/665166616.db2.gz FTFSALGIPLLBCZ-CHWSQXEVSA-N 1 2 351.411 0.342 20 5 FCBDLO CCc1noc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964509 665219492 /nfs/dbraw/zinc/21/94/92/665219492.db2.gz MSODEJAJNGBNRK-CHWSQXEVSA-N 1 2 351.407 0.968 20 5 FCBDLO CCc1noc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964509 665219495 /nfs/dbraw/zinc/21/94/95/665219495.db2.gz MSODEJAJNGBNRK-CHWSQXEVSA-N 1 2 351.407 0.968 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3csnn3)C[C@H]2CC1 ZINC000946589071 667669523 /nfs/dbraw/zinc/66/95/23/667669523.db2.gz DWCAYPLBCBVAGL-ZMJPVWNMSA-N 1 2 351.432 0.874 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3csnn3)C[C@H]2CC1 ZINC000946589071 667669526 /nfs/dbraw/zinc/66/95/26/667669526.db2.gz DWCAYPLBCBVAGL-ZMJPVWNMSA-N 1 2 351.432 0.874 20 5 FCBDLO C[NH+](C)C1(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000756309507 667670372 /nfs/dbraw/zinc/67/03/72/667670372.db2.gz IHHOHTHRZKVXBG-UHFFFAOYSA-N 1 2 355.416 0.969 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC001005376331 667738825 /nfs/dbraw/zinc/73/88/25/667738825.db2.gz SZHCUAVGYRNEBO-HUUCEWRRSA-N 1 2 352.435 0.633 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001005379547 667739170 /nfs/dbraw/zinc/73/91/70/667739170.db2.gz VDPPLZMDNKPFJT-HUUCEWRRSA-N 1 2 352.435 0.587 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000784905815 668682191 /nfs/dbraw/zinc/68/21/91/668682191.db2.gz ONWGEPYLZOPJRE-GFCCVEGCSA-N 1 2 351.359 0.589 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CCCCO)CC1 ZINC000799629360 669306999 /nfs/dbraw/zinc/30/69/99/669306999.db2.gz UYKNMFNURIEKCY-UHFFFAOYSA-N 1 2 350.375 0.450 20 5 FCBDLO CCNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823226537 669328077 /nfs/dbraw/zinc/32/80/77/669328077.db2.gz BXVCBSYASCFBOV-UHFFFAOYSA-N 1 2 367.387 0.450 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825755774 669468009 /nfs/dbraw/zinc/46/80/09/669468009.db2.gz AAERZWMSJNEFJR-VIFPVBQESA-N 1 2 373.207 0.891 20 5 FCBDLO Cc1c(CO)cc([N+](=O)[O-])c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000826574309 669501879 /nfs/dbraw/zinc/50/18/79/669501879.db2.gz RKJWPJZWVJNLLF-GFCCVEGCSA-N 1 2 352.347 0.559 20 5 FCBDLO Cc1c(CO)cc([N+](=O)[O-])c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000826574309 669501882 /nfs/dbraw/zinc/50/18/82/669501882.db2.gz RKJWPJZWVJNLLF-GFCCVEGCSA-N 1 2 352.347 0.559 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166518 670643091 /nfs/dbraw/zinc/64/30/91/670643091.db2.gz PUBLIEQFFYSUEE-UONOGXRCSA-N 1 2 351.359 0.382 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166518 670643095 /nfs/dbraw/zinc/64/30/95/670643095.db2.gz PUBLIEQFFYSUEE-UONOGXRCSA-N 1 2 351.359 0.382 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@@H+](CCCN1CCCC1=O)C2 ZINC001017547545 675413049 /nfs/dbraw/zinc/41/30/49/675413049.db2.gz GOUVPDLSGAGYQZ-LXTVHRRPSA-N 1 2 350.419 0.339 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1[C@@H]2CC[C@H]1C[N@H+](CCCN1CCCC1=O)C2 ZINC001017547545 675413055 /nfs/dbraw/zinc/41/30/55/675413055.db2.gz GOUVPDLSGAGYQZ-LXTVHRRPSA-N 1 2 350.419 0.339 20 5 FCBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064699 1170558548 /nfs/dbraw/zinc/55/85/48/1170558548.db2.gz LEEZACSVJHTCSF-NOXHYTERSA-N 1 2 356.386 0.669 20 5 FCBDLO CCCN1C(=O)C(=O)N(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782862717 1182102248 /nfs/dbraw/zinc/10/22/48/1182102248.db2.gz QPCTXWNKPTUXIC-UHFFFAOYSA-N 1 2 364.362 0.587 20 5 FCBDLO CCCCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235768 1183150021 /nfs/dbraw/zinc/15/00/21/1183150021.db2.gz RNFXSJCJBHKZRR-HUUCEWRRSA-N 1 2 366.422 0.233 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCCCC1 ZINC000981138122 1186330167 /nfs/dbraw/zinc/33/01/67/1186330167.db2.gz KZMQPGNDGGSTMP-HZPDHXFCSA-N 1 2 366.462 0.979 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCCCC1 ZINC000981138122 1186330174 /nfs/dbraw/zinc/33/01/74/1186330174.db2.gz KZMQPGNDGGSTMP-HZPDHXFCSA-N 1 2 366.462 0.979 20 5 FCBDLO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ncn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655704 1188249321 /nfs/dbraw/zinc/24/93/21/1188249321.db2.gz UUJZHRJWFKCNPR-RRCSTGOVSA-N 1 2 370.413 0.917 20 5 FCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907086618 1195680103 /nfs/dbraw/zinc/68/01/03/1195680103.db2.gz AMABKFWHLRTZLY-LBPRGKRZSA-N 1 2 362.386 0.486 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2nc(-c3ccccc3)no2)c1 ZINC000592432112 1196621319 /nfs/dbraw/zinc/62/13/19/1196621319.db2.gz ORCWXSUEBDCCHQ-UONOGXRCSA-N 1 2 374.357 0.525 20 5 FCBDLO CC(C)CC(=O)N1CCC(C[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001030292561 1196621426 /nfs/dbraw/zinc/62/14/26/1196621426.db2.gz OLXWSGPMBUNAOK-HZPDHXFCSA-N 1 2 366.462 0.737 20 5 FCBDLO NC(=O)C1=NO[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000787929828 1200923572 /nfs/dbraw/zinc/92/35/72/1200923572.db2.gz BBZYYRPENQTNHH-SNVBAGLBSA-N 1 2 358.314 0.141 20 5 FCBDLO COCCOCC[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000808237040 1202878028 /nfs/dbraw/zinc/87/80/28/1202878028.db2.gz ZXNPQZZETHZQSV-UHFFFAOYSA-N 1 2 366.374 0.916 20 5 FCBDLO COCCOCC[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000808237040 1202878030 /nfs/dbraw/zinc/87/80/30/1202878030.db2.gz ZXNPQZZETHZQSV-UHFFFAOYSA-N 1 2 366.374 0.916 20 5 FCBDLO O=C(NCc1cn(C2C[NH+](CC3CC(F)(F)C3)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001094290316 1206214961 /nfs/dbraw/zinc/21/49/61/1206214961.db2.gz ATUNAMJEZLEVEG-CHWSQXEVSA-N 1 2 370.360 0.462 20 5 FCBDLO O=C(CN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000776273695 1208489157 /nfs/dbraw/zinc/48/91/57/1208489157.db2.gz CWVBZMAFVBMKRL-KRWDZBQOSA-N 1 2 362.430 0.868 20 5 FCBDLO O=C(CCn1cc[nH+]c1)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010656368 1213806524 /nfs/dbraw/zinc/80/65/24/1213806524.db2.gz KVSPAGOIVFXXAS-ZIAGYGMSSA-N 1 2 361.402 0.389 20 5 FCBDLO O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961548670 1214222352 /nfs/dbraw/zinc/22/23/52/1214222352.db2.gz IYPXYDKHGATCST-OQMKEHIESA-N 1 2 369.381 0.759 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000963982026 1214881933 /nfs/dbraw/zinc/88/19/33/1214881933.db2.gz PLDILLKNBZBJMB-QHSBEEBCSA-N 1 2 363.418 0.419 20 5 FCBDLO COc1cncc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)n1 ZINC001050516527 1216328277 /nfs/dbraw/zinc/32/82/77/1216328277.db2.gz DYNBMTJBHXONJZ-ZIAGYGMSSA-N 1 2 361.402 0.575 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1nnnn1C1CC1)CC2 ZINC001050517367 1216328680 /nfs/dbraw/zinc/32/86/80/1216328680.db2.gz QIASGBDJRFACAB-CHWSQXEVSA-N 1 2 361.406 0.098 20 5 FCBDLO CC(C)Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814653 1218318558 /nfs/dbraw/zinc/31/85/58/1218318558.db2.gz WGAJGFJDNBACNY-XJFOESAGSA-N 1 2 363.418 0.824 20 5 FCBDLO CC(C)Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814653 1218318564 /nfs/dbraw/zinc/31/85/64/1218318564.db2.gz WGAJGFJDNBACNY-XJFOESAGSA-N 1 2 363.418 0.824 20 5 FCBDLO COc1coc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1=O ZINC001072726011 1219620790 /nfs/dbraw/zinc/62/07/90/1219620790.db2.gz XFOLMOVANNBXOG-CHWSQXEVSA-N 1 2 363.370 0.348 20 5 FCBDLO COc1coc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1=O ZINC001072726011 1219620792 /nfs/dbraw/zinc/62/07/92/1219620792.db2.gz XFOLMOVANNBXOG-CHWSQXEVSA-N 1 2 363.370 0.348 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001118261209 1221745691 /nfs/dbraw/zinc/74/56/91/1221745691.db2.gz PYIBBOJLBPQUIL-AWEZNQCLSA-N 1 2 374.357 0.153 20 5 FCBDLO CCCNC(=O)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001151121698 1222916094 /nfs/dbraw/zinc/91/60/94/1222916094.db2.gz QWYWHYQHPSDXTI-ZIAGYGMSSA-N 1 2 370.450 0.165 20 5 FCBDLO 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ZINC000363666491 488870987 /nfs/dbraw/zinc/87/09/87/488870987.db2.gz XPJBPDZJHLRNGY-UHFFFAOYSA-N 1 2 363.418 0.807 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000321371348 488901789 /nfs/dbraw/zinc/90/17/89/488901789.db2.gz ZLMKLSSOZZKGSX-UHFFFAOYSA-N 1 2 359.404 0.338 20 5 FCBDLO CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000025914328 487673747 /nfs/dbraw/zinc/67/37/47/487673747.db2.gz MIADTOMYLHKITP-UHFFFAOYSA-N 1 2 370.431 0.427 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000028484688 487710467 /nfs/dbraw/zinc/71/04/67/487710467.db2.gz OAQMPCSVSOATDD-MRXNPFEDSA-N 1 2 359.386 0.981 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000029097174 487718515 /nfs/dbraw/zinc/71/85/15/487718515.db2.gz LLPDIALCDHQWTM-MRXNPFEDSA-N 1 2 359.386 0.981 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 ZINC000036312741 487800028 /nfs/dbraw/zinc/80/00/28/487800028.db2.gz BFHHGMQTXZSXGD-UHFFFAOYSA-N 1 2 370.431 0.368 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000041739210 487840127 /nfs/dbraw/zinc/84/01/27/487840127.db2.gz ZPIXJDRZFAFWBG-NSHDSACASA-N 1 2 366.374 0.379 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047152073 488016087 /nfs/dbraw/zinc/01/60/87/488016087.db2.gz IZPIDOQCTSFAPV-CYBMUJFWSA-N 1 2 364.402 0.552 20 5 FCBDLO COCCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051121004 488122799 /nfs/dbraw/zinc/12/27/99/488122799.db2.gz DSSCIONIGCMQKX-UHFFFAOYSA-N 1 2 366.418 0.484 20 5 FCBDLO C[C@@H]1C[N@@H+](C[C@@H](O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H](C)O1 ZINC000065170696 488315855 /nfs/dbraw/zinc/31/58/55/488315855.db2.gz KDCJHUHJWUXLBL-NTZNESFSSA-N 1 2 363.370 0.661 20 5 FCBDLO C[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@H](C)O1 ZINC000065170696 488315857 /nfs/dbraw/zinc/31/58/57/488315857.db2.gz KDCJHUHJWUXLBL-NTZNESFSSA-N 1 2 363.370 0.661 20 5 FCBDLO CN(CC(=O)N1CCOCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068011218 488359260 /nfs/dbraw/zinc/35/92/60/488359260.db2.gz VOMHZGWZBQFBBD-UHFFFAOYSA-N 1 2 373.369 0.711 20 5 FCBDLO CC(C)(C)[N@H+](CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268520335 488427117 /nfs/dbraw/zinc/42/71/17/488427117.db2.gz ZUDLYSHWUAUNKR-UHFFFAOYSA-N 1 2 352.347 0.848 20 5 FCBDLO CC(C)(C)[N@@H+](CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268520335 488427119 /nfs/dbraw/zinc/42/71/19/488427119.db2.gz ZUDLYSHWUAUNKR-UHFFFAOYSA-N 1 2 352.347 0.848 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000081015192 488438695 /nfs/dbraw/zinc/43/86/95/488438695.db2.gz FHEQPDJZUGBNPW-CQSZACIVSA-N 1 2 363.374 0.774 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245970876 488468490 /nfs/dbraw/zinc/46/84/90/488468490.db2.gz WJNPWYWBQAAHPF-KGLIPLIRSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245970876 488468493 /nfs/dbraw/zinc/46/84/93/488468493.db2.gz WJNPWYWBQAAHPF-KGLIPLIRSA-N 1 2 371.459 0.854 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000248648102 488499866 /nfs/dbraw/zinc/49/98/66/488499866.db2.gz JIFCCWUYQRUWLV-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000248648102 488499868 /nfs/dbraw/zinc/49/98/68/488499868.db2.gz JIFCCWUYQRUWLV-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271538027 488525477 /nfs/dbraw/zinc/52/54/77/488525477.db2.gz YOKSXYFBNDAHPQ-LLVKDONJSA-N 1 2 351.359 0.922 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000271717559 488541308 /nfs/dbraw/zinc/54/13/08/488541308.db2.gz KISJQZBYRZZBSK-NSHDSACASA-N 1 2 361.395 0.811 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122405450 488578240 /nfs/dbraw/zinc/57/82/40/488578240.db2.gz CFWCTEUJNVDGEM-VXGBXAGGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122405450 488578241 /nfs/dbraw/zinc/57/82/41/488578241.db2.gz CFWCTEUJNVDGEM-VXGBXAGGSA-N 1 2 357.432 0.979 20 5 FCBDLO O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000128381967 488624311 /nfs/dbraw/zinc/62/43/11/488624311.db2.gz MBZLXCJUDDTOEB-UHFFFAOYSA-N 1 2 372.385 0.392 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000273036696 488627335 /nfs/dbraw/zinc/62/73/35/488627335.db2.gz GPTWXQCFNRXQNC-UHFFFAOYSA-N 1 2 364.402 0.424 20 5 FCBDLO CS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000273217040 488638490 /nfs/dbraw/zinc/63/84/90/488638490.db2.gz YDOCTQHTMPSWOR-UHFFFAOYSA-N 1 2 374.394 0.640 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000264124307 488649194 /nfs/dbraw/zinc/64/91/94/488649194.db2.gz LHLMDOSRMVGWMX-NSHDSACASA-N 1 2 370.431 0.922 20 5 FCBDLO O=C(NCCn1cc[nH+]c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273452523 488651945 /nfs/dbraw/zinc/65/19/45/488651945.db2.gz YGDPGDPLBSNGSM-UHFFFAOYSA-N 1 2 367.387 0.564 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273508492 488655166 /nfs/dbraw/zinc/65/51/66/488655166.db2.gz UAWSIGSFQDAPNO-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273508492 488655168 /nfs/dbraw/zinc/65/51/68/488655168.db2.gz UAWSIGSFQDAPNO-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000264467000 488676714 /nfs/dbraw/zinc/67/67/14/488676714.db2.gz FQXGMGUVXBDLBZ-GFCCVEGCSA-N 1 2 371.415 0.449 20 5 FCBDLO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000264467000 488676715 /nfs/dbraw/zinc/67/67/15/488676715.db2.gz FQXGMGUVXBDLBZ-GFCCVEGCSA-N 1 2 371.415 0.449 20 5 FCBDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699702 488682939 /nfs/dbraw/zinc/68/29/39/488682939.db2.gz ZCZDHCSKKWNHIN-AAEUAGOBSA-N 1 2 351.359 0.974 20 5 FCBDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699702 488682941 /nfs/dbraw/zinc/68/29/41/488682941.db2.gz ZCZDHCSKKWNHIN-AAEUAGOBSA-N 1 2 351.359 0.974 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264597212 488688595 /nfs/dbraw/zinc/68/85/95/488688595.db2.gz TWNIPHOHZGYFNI-LBPRGKRZSA-N 1 2 351.359 0.623 20 5 FCBDLO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264620825 488691455 /nfs/dbraw/zinc/69/14/55/488691455.db2.gz RLTMJUGGURLKKJ-GFCCVEGCSA-N 1 2 374.394 0.352 20 5 FCBDLO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264620825 488691457 /nfs/dbraw/zinc/69/14/57/488691457.db2.gz RLTMJUGGURLKKJ-GFCCVEGCSA-N 1 2 374.394 0.352 20 5 FCBDLO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000274692245 488727703 /nfs/dbraw/zinc/72/77/03/488727703.db2.gz NBGKPALSWIPOSP-LBPRGKRZSA-N 1 2 371.415 0.491 20 5 FCBDLO CC(C)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000266804641 488732408 /nfs/dbraw/zinc/73/24/08/488732408.db2.gz CSFOULFZOWOWPF-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266850632 488737053 /nfs/dbraw/zinc/73/70/53/488737053.db2.gz CWCDKUXKPYSJNL-UHFFFAOYSA-N 1 2 363.418 0.723 20 5 FCBDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563137964 491220082 /nfs/dbraw/zinc/22/00/82/491220082.db2.gz ALULFRPJEZGBTR-SNVBAGLBSA-N 1 2 352.376 0.059 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275241043 488776276 /nfs/dbraw/zinc/77/62/76/488776276.db2.gz GJKMVOVHGYBXLH-LBPRGKRZSA-N 1 2 364.402 0.675 20 5 FCBDLO Nc1c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000267314985 488776616 /nfs/dbraw/zinc/77/66/16/488776616.db2.gz NJNKSCZIQYWOHG-UHFFFAOYSA-N 1 2 360.374 0.958 20 5 FCBDLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000267571446 488799428 /nfs/dbraw/zinc/79/94/28/488799428.db2.gz DNJWJSCIVJOLTI-XJKSGUPXSA-N 1 2 366.418 0.990 20 5 FCBDLO COc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000267676297 488811693 /nfs/dbraw/zinc/81/16/93/488811693.db2.gz MCJVBNLOFWEMGR-CYBMUJFWSA-N 1 2 353.375 0.369 20 5 FCBDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000267760106 488817885 /nfs/dbraw/zinc/81/78/85/488817885.db2.gz FLWBMQWEGDZRAO-GDBMZVCRSA-N 1 2 360.370 0.925 20 5 FCBDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000267760106 488817888 /nfs/dbraw/zinc/81/78/88/488817888.db2.gz FLWBMQWEGDZRAO-GDBMZVCRSA-N 1 2 360.370 0.925 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000267760529 488817946 /nfs/dbraw/zinc/81/79/46/488817946.db2.gz XVSSDZKQXMIWIO-AWEZNQCLSA-N 1 2 368.346 0.268 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203800 488857646 /nfs/dbraw/zinc/85/76/46/488857646.db2.gz CHLUFGAKUHLCAE-OAHLLOKOSA-N 1 2 364.450 0.810 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203800 488857647 /nfs/dbraw/zinc/85/76/47/488857647.db2.gz CHLUFGAKUHLCAE-OAHLLOKOSA-N 1 2 364.450 0.810 20 5 FCBDLO CC(=O)NC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181645167 488863662 /nfs/dbraw/zinc/86/36/62/488863662.db2.gz CXRYEVGZHKZYHY-UHFFFAOYSA-N 1 2 355.416 0.969 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000280358943 489000769 /nfs/dbraw/zinc/00/07/69/489000769.db2.gz XXCDKPHIBLYYBD-UHFFFAOYSA-N 1 2 353.400 0.990 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000280358943 489000771 /nfs/dbraw/zinc/00/07/71/489000771.db2.gz XXCDKPHIBLYYBD-UHFFFAOYSA-N 1 2 353.400 0.990 20 5 FCBDLO Cc1cc(OCC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000281572958 489087966 /nfs/dbraw/zinc/08/79/66/489087966.db2.gz ZBKDCJPCLVBDOX-UHFFFAOYSA-N 1 2 364.402 0.690 20 5 FCBDLO O=C(CCc1c[nH+]c[nH]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281649613 489094325 /nfs/dbraw/zinc/09/43/25/489094325.db2.gz RGSGQEDXBNKTEH-UHFFFAOYSA-N 1 2 352.372 0.841 20 5 FCBDLO O=C(CCc1c[nH]c[nH+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281649613 489094328 /nfs/dbraw/zinc/09/43/28/489094328.db2.gz RGSGQEDXBNKTEH-UHFFFAOYSA-N 1 2 352.372 0.841 20 5 FCBDLO NC(=O)c1ccnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000290685646 489158373 /nfs/dbraw/zinc/15/83/73/489158373.db2.gz SXZSHZHJTBPAKT-UHFFFAOYSA-N 1 2 361.362 0.361 20 5 FCBDLO O=C(C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000292894804 489179555 /nfs/dbraw/zinc/17/95/55/489179555.db2.gz GDJSJPRFROPWGZ-ZDUSSCGKSA-N 1 2 360.374 0.954 20 5 FCBDLO O=C(C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000292894804 489179559 /nfs/dbraw/zinc/17/95/59/489179559.db2.gz GDJSJPRFROPWGZ-ZDUSSCGKSA-N 1 2 360.374 0.954 20 5 FCBDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000282886554 489197115 /nfs/dbraw/zinc/19/71/15/489197115.db2.gz FUIYCQNBTWOIBQ-AWEZNQCLSA-N 1 2 360.374 0.593 20 5 FCBDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000282886554 489197118 /nfs/dbraw/zinc/19/71/18/489197118.db2.gz FUIYCQNBTWOIBQ-AWEZNQCLSA-N 1 2 360.374 0.593 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298772607 489363069 /nfs/dbraw/zinc/36/30/69/489363069.db2.gz PGADWHOCUVZQLM-UHFFFAOYSA-N 1 2 350.375 0.254 20 5 FCBDLO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286163007 489363715 /nfs/dbraw/zinc/36/37/15/489363715.db2.gz QLSYOIFBOZRVHP-LBPRGKRZSA-N 1 2 362.308 0.866 20 5 FCBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370612622 489382977 /nfs/dbraw/zinc/38/29/77/489382977.db2.gz OORSYSUPESEIBO-CYBMUJFWSA-N 1 2 359.386 0.971 20 5 FCBDLO C[C@@H](CO)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000299047953 489399512 /nfs/dbraw/zinc/39/95/12/489399512.db2.gz GNSILSDITGLPBI-GFCCVEGCSA-N 1 2 372.447 0.571 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286630194 489411384 /nfs/dbraw/zinc/41/13/84/489411384.db2.gz CSULHWOFHAUAGX-TZMCWYRMSA-N 1 2 351.407 0.811 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000299357936 489434748 /nfs/dbraw/zinc/43/47/48/489434748.db2.gz REHFCHFGPHAFLM-UHFFFAOYSA-N 1 2 370.793 0.977 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000299518043 489450278 /nfs/dbraw/zinc/45/02/78/489450278.db2.gz OHKHKWOVOLLUFC-UHFFFAOYSA-N 1 2 357.370 0.496 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000287120462 489462299 /nfs/dbraw/zinc/46/22/99/489462299.db2.gz QKGBERGVIWGNDB-STQMWFEESA-N 1 2 352.395 0.296 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485570 489470638 /nfs/dbraw/zinc/47/06/38/489470638.db2.gz AQWSEVCVNVEPNF-ZWNOBZJWSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485570 489470639 /nfs/dbraw/zinc/47/06/39/489470639.db2.gz AQWSEVCVNVEPNF-ZWNOBZJWSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487573 489471009 /nfs/dbraw/zinc/47/10/09/489471009.db2.gz HKHYAHFJJGSRCB-RYUDHWBXSA-N 1 2 370.431 0.854 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487573 489471012 /nfs/dbraw/zinc/47/10/12/489471012.db2.gz HKHYAHFJJGSRCB-RYUDHWBXSA-N 1 2 370.431 0.854 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000371534919 489487258 /nfs/dbraw/zinc/48/72/58/489487258.db2.gz AXRHUNRNDMXSEU-FMKPAKJESA-N 1 2 368.386 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000371534919 489487259 /nfs/dbraw/zinc/48/72/59/489487259.db2.gz AXRHUNRNDMXSEU-FMKPAKJESA-N 1 2 368.386 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000371534920 489487321 /nfs/dbraw/zinc/48/73/21/489487321.db2.gz AXRHUNRNDMXSEU-LZWOXQAQSA-N 1 2 368.386 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000371534920 489487322 /nfs/dbraw/zinc/48/73/22/489487322.db2.gz AXRHUNRNDMXSEU-LZWOXQAQSA-N 1 2 368.386 0.987 20 5 FCBDLO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371617096 489490834 /nfs/dbraw/zinc/49/08/34/489490834.db2.gz SYVXXZLHVOIUCX-CQSZACIVSA-N 1 2 362.386 0.855 20 5 FCBDLO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371617096 489490835 /nfs/dbraw/zinc/49/08/35/489490835.db2.gz SYVXXZLHVOIUCX-CQSZACIVSA-N 1 2 362.386 0.855 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000555612465 491259405 /nfs/dbraw/zinc/25/94/05/491259405.db2.gz NLQHRJRTLYGNFG-UHFFFAOYSA-N 1 2 353.404 0.985 20 5 FCBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000451892859 489529675 /nfs/dbraw/zinc/52/96/75/489529675.db2.gz WNNAIJIQWRIUBI-GASCZTMLSA-N 1 2 355.416 0.877 20 5 FCBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000451892859 489529677 /nfs/dbraw/zinc/52/96/77/489529677.db2.gz WNNAIJIQWRIUBI-GASCZTMLSA-N 1 2 355.416 0.877 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372150908 489552299 /nfs/dbraw/zinc/55/22/99/489552299.db2.gz YCZXXSSNVAODOE-ZDUSSCGKSA-N 1 2 357.388 0.585 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000372150908 489552303 /nfs/dbraw/zinc/55/23/03/489552303.db2.gz YCZXXSSNVAODOE-ZDUSSCGKSA-N 1 2 357.388 0.585 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000427035709 489591846 /nfs/dbraw/zinc/59/18/46/489591846.db2.gz ONVRCWUCIURTBP-SNVBAGLBSA-N 1 2 359.342 0.870 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@H+](C)C1 ZINC000416578482 489613383 /nfs/dbraw/zinc/61/33/83/489613383.db2.gz GQRLVQNUMYOGBJ-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+](C)C1 ZINC000416578482 489613386 /nfs/dbraw/zinc/61/33/86/489613386.db2.gz GQRLVQNUMYOGBJ-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COc1cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000428532502 489652300 /nfs/dbraw/zinc/65/23/00/489652300.db2.gz BWGGLIUMLUXCRS-LLVKDONJSA-N 1 2 353.375 0.751 20 5 FCBDLO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000428532502 489652303 /nfs/dbraw/zinc/65/23/03/489652303.db2.gz BWGGLIUMLUXCRS-LLVKDONJSA-N 1 2 353.375 0.751 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428780452 489664062 /nfs/dbraw/zinc/66/40/62/489664062.db2.gz PWNMYMXOMGIQBI-CYBMUJFWSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428780452 489664065 /nfs/dbraw/zinc/66/40/65/489664065.db2.gz PWNMYMXOMGIQBI-CYBMUJFWSA-N 1 2 370.431 0.807 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000563907958 491276944 /nfs/dbraw/zinc/27/69/44/491276944.db2.gz ZGIPNVCZOANZGG-UHFFFAOYSA-N 1 2 352.372 0.461 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475691149 489842401 /nfs/dbraw/zinc/84/24/01/489842401.db2.gz CTNFQGUKGWMBET-GFCCVEGCSA-N 1 2 364.358 0.356 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475691149 489842403 /nfs/dbraw/zinc/84/24/03/489842403.db2.gz CTNFQGUKGWMBET-GFCCVEGCSA-N 1 2 364.358 0.356 20 5 FCBDLO COc1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000476203852 489873307 /nfs/dbraw/zinc/87/33/07/489873307.db2.gz JIUTZIKCLPLXSD-INIZCTEOSA-N 1 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Cn1nccc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972249 490037019 /nfs/dbraw/zinc/03/70/19/490037019.db2.gz JYPBMNSOFAWLTM-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO Cn1nccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420972249 490037025 /nfs/dbraw/zinc/03/70/25/490037025.db2.gz JYPBMNSOFAWLTM-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO CCOC(=O)C[N@@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439152080 490038810 /nfs/dbraw/zinc/03/88/10/490038810.db2.gz HEFZUKHIVZJBSK-UHFFFAOYSA-N 1 2 350.375 0.769 20 5 FCBDLO CCOC(=O)C[N@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439152080 490038814 /nfs/dbraw/zinc/03/88/14/490038814.db2.gz HEFZUKHIVZJBSK-UHFFFAOYSA-N 1 2 350.375 0.769 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005594 490043093 /nfs/dbraw/zinc/04/30/93/490043093.db2.gz GNAMNZSQIYCEMP-LLVKDONJSA-N 1 2 370.431 0.472 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421005594 490043096 /nfs/dbraw/zinc/04/30/96/490043096.db2.gz GNAMNZSQIYCEMP-LLVKDONJSA-N 1 2 370.431 0.472 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444683078 490105078 /nfs/dbraw/zinc/10/50/78/490105078.db2.gz WRWZAQNVYGLESK-LLVKDONJSA-N 1 2 353.404 0.985 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444683078 490105085 /nfs/dbraw/zinc/10/50/85/490105085.db2.gz WRWZAQNVYGLESK-LLVKDONJSA-N 1 2 353.404 0.985 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000498357299 490288590 /nfs/dbraw/zinc/28/85/90/490288590.db2.gz XVTJWIIFMYFZFN-LBPRGKRZSA-N 1 2 360.374 0.795 20 5 FCBDLO Nc1c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000483363247 490310588 /nfs/dbraw/zinc/31/05/88/490310588.db2.gz FFMRQQJKMBUXOE-ZDUSSCGKSA-N 1 2 364.402 0.740 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000508426697 490329322 /nfs/dbraw/zinc/32/93/22/490329322.db2.gz MUOXHOVWRCWEGF-UHFFFAOYSA-N 1 2 373.417 0.648 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483603363 490332421 /nfs/dbraw/zinc/33/24/21/490332421.db2.gz SNKPMHDWIXLHMT-CQSZACIVSA-N 1 2 367.406 0.049 20 5 FCBDLO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCN(C)CC1 ZINC000522146452 490346160 /nfs/dbraw/zinc/34/61/60/490346160.db2.gz DTZATSBUAAVKFV-AWEZNQCLSA-N 1 2 362.434 0.274 20 5 FCBDLO CCN1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000548009464 490404694 /nfs/dbraw/zinc/40/46/94/490404694.db2.gz YIIKSFNPXZFVPO-LLVKDONJSA-N 1 2 366.403 0.780 20 5 FCBDLO Nc1nccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000548059170 490414329 /nfs/dbraw/zinc/41/43/29/490414329.db2.gz ODAIDUVPNQBWNO-UHFFFAOYSA-N 1 2 358.358 0.734 20 5 FCBDLO CNC(=O)N[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000468715112 490438679 /nfs/dbraw/zinc/43/86/79/490438679.db2.gz NHPYLCBBGJNKRH-LBPRGKRZSA-N 1 2 358.358 0.924 20 5 FCBDLO C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450322208 490459668 /nfs/dbraw/zinc/45/96/68/490459668.db2.gz XTPUCSAWTHNPDL-GFCCVEGCSA-N 1 2 373.369 0.446 20 5 FCBDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000450383882 490463808 /nfs/dbraw/zinc/46/38/08/490463808.db2.gz AGJVDTPONPJFOK-CYBMUJFWSA-N 1 2 364.406 0.063 20 5 FCBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000499995661 490476788 /nfs/dbraw/zinc/47/67/88/490476788.db2.gz BQZMKWZNUOMDKH-UHFFFAOYSA-N 1 2 360.374 0.958 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000500119269 490486308 /nfs/dbraw/zinc/48/63/08/490486308.db2.gz FDPBNDGGBWXOSB-UHFFFAOYSA-N 1 2 369.378 0.964 20 5 FCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1[nH]cc[nH+]1 ZINC000511433821 490595511 /nfs/dbraw/zinc/59/55/11/490595511.db2.gz YIWWYBUUPUEADJ-UHFFFAOYSA-N 1 2 353.360 0.303 20 5 FCBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC000525340665 490598623 /nfs/dbraw/zinc/59/86/23/490598623.db2.gz CWEGKEORYQTGBU-UHFFFAOYSA-N 1 2 360.374 0.410 20 5 FCBDLO CCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000525706640 490624931 /nfs/dbraw/zinc/62/49/31/490624931.db2.gz DDYOBOBMVHMFEJ-UHFFFAOYSA-N 1 2 358.420 0.401 20 5 FCBDLO CN1CC[NH+](Cc2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2)CC1 ZINC000512129762 490661496 /nfs/dbraw/zinc/66/14/96/490661496.db2.gz JIUNVYSSNFUIKD-UHFFFAOYSA-N 1 2 359.390 0.572 20 5 FCBDLO CN(C)C(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000537525643 490680913 /nfs/dbraw/zinc/68/09/13/490680913.db2.gz VEADVFXUBLSDEP-UHFFFAOYSA-N 1 2 351.407 0.834 20 5 FCBDLO CN(C)C(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000537525643 490680919 /nfs/dbraw/zinc/68/09/19/490680919.db2.gz VEADVFXUBLSDEP-UHFFFAOYSA-N 1 2 351.407 0.834 20 5 FCBDLO Cc1nc(N)c(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c[nH+]1 ZINC000556844047 491340472 /nfs/dbraw/zinc/34/04/72/491340472.db2.gz HFGIOMZIUCLVPP-UHFFFAOYSA-N 1 2 354.330 0.786 20 5 FCBDLO Cc1cc(NC[C@H](C)S(N)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000502794031 490721811 /nfs/dbraw/zinc/72/18/11/490721811.db2.gz QKBCYTOQTQGYTA-JTQLQIEISA-N 1 2 351.388 0.871 20 5 FCBDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000539726401 490793984 /nfs/dbraw/zinc/79/39/84/490793984.db2.gz BSGATKRHBPEJBW-UHFFFAOYSA-N 1 2 367.362 0.465 20 5 FCBDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000539726401 490793986 /nfs/dbraw/zinc/79/39/86/490793986.db2.gz BSGATKRHBPEJBW-UHFFFAOYSA-N 1 2 367.362 0.465 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000504841049 490812672 /nfs/dbraw/zinc/81/26/72/490812672.db2.gz BILZKFYEYSHLQU-CQSZACIVSA-N 1 2 371.415 0.205 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000504841049 490812673 /nfs/dbraw/zinc/81/26/73/490812673.db2.gz BILZKFYEYSHLQU-CQSZACIVSA-N 1 2 371.415 0.205 20 5 FCBDLO COc1ccccc1[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505507745 490831640 /nfs/dbraw/zinc/83/16/40/490831640.db2.gz RZIAXHJMWJPPPA-AWEZNQCLSA-N 1 2 372.381 0.938 20 5 FCBDLO CCS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541273890 490856995 /nfs/dbraw/zinc/85/69/95/490856995.db2.gz NSMYERJJUGNZTH-ZDUSSCGKSA-N 1 2 373.431 0.302 20 5 FCBDLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1cc(N2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000542197730 490888707 /nfs/dbraw/zinc/88/87/07/490888707.db2.gz HSQSVKCLFOCYMK-STQMWFEESA-N 1 2 350.375 0.171 20 5 FCBDLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1cc(N2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000542197730 490888709 /nfs/dbraw/zinc/88/87/09/490888709.db2.gz HSQSVKCLFOCYMK-STQMWFEESA-N 1 2 350.375 0.171 20 5 FCBDLO C[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000517873401 490923404 /nfs/dbraw/zinc/92/34/04/490923404.db2.gz KWQQAAWFJVDAQI-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000518171170 490931936 /nfs/dbraw/zinc/93/19/36/490931936.db2.gz NNJJOBFHELEGGW-LLVKDONJSA-N 1 2 366.403 0.438 20 5 FCBDLO C[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544673343 490975482 /nfs/dbraw/zinc/97/54/82/490975482.db2.gz ODEUHYFGHMJZLL-LLVKDONJSA-N 1 2 352.366 0.776 20 5 FCBDLO C[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544673343 490975484 /nfs/dbraw/zinc/97/54/84/490975484.db2.gz ODEUHYFGHMJZLL-LLVKDONJSA-N 1 2 352.366 0.776 20 5 FCBDLO CCCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596058786 491973961 /nfs/dbraw/zinc/97/39/61/491973961.db2.gz JHDNPDRNNALEFM-UHFFFAOYSA-N 1 2 363.418 0.732 20 5 FCBDLO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000565652458 491391380 /nfs/dbraw/zinc/39/13/80/491391380.db2.gz PCVXTOPTYVEUJK-NSHDSACASA-N 1 2 356.329 0.572 20 5 FCBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000558252117 491423198 /nfs/dbraw/zinc/42/31/98/491423198.db2.gz DXFDEFWCNWAIFV-UHFFFAOYSA-N 1 2 366.355 0.576 20 5 FCBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000566479462 491446762 /nfs/dbraw/zinc/44/67/62/491446762.db2.gz YVPYUDNRPTXIQY-UHFFFAOYSA-N 1 2 351.407 1.353 20 5 FCBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)S(C)(=O)=O ZINC000560185291 491522626 /nfs/dbraw/zinc/52/26/26/491522626.db2.gz ZWBDICUBVJMWFF-JTQLQIEISA-N 1 2 352.372 0.943 20 5 FCBDLO COC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@H](OC)C1 ZINC000574881223 491525916 /nfs/dbraw/zinc/52/59/16/491525916.db2.gz KWDZLQRIZWKEOQ-UQOMUDLDSA-N 1 2 370.406 0.489 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)NCc2c[nH+]c(C)nc2N)cc1[N+](=O)[O-] ZINC000567955132 491543423 /nfs/dbraw/zinc/54/34/23/491543423.db2.gz VQHYVJYVLACKSM-UHFFFAOYSA-N 1 2 374.357 0.330 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560636661 491548062 /nfs/dbraw/zinc/54/80/62/491548062.db2.gz KKJUHMWLTPLUEC-NSHDSACASA-N 1 2 351.359 0.915 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560636661 491548063 /nfs/dbraw/zinc/54/80/63/491548063.db2.gz KKJUHMWLTPLUEC-NSHDSACASA-N 1 2 351.359 0.915 20 5 FCBDLO O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CCn2c[nH+]cc2C1 ZINC000568364510 491571763 /nfs/dbraw/zinc/57/17/63/491571763.db2.gz FMEMBLZLJGQSEO-UHFFFAOYSA-N 1 2 355.354 0.718 20 5 FCBDLO Nc1nccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000561225332 491585932 /nfs/dbraw/zinc/58/59/32/491585932.db2.gz JFVPCHWTDBKCJN-UHFFFAOYSA-N 1 2 361.362 0.353 20 5 FCBDLO CNc1nccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000568646325 491596369 /nfs/dbraw/zinc/59/63/69/491596369.db2.gz DLZAGPGOBIONEH-UHFFFAOYSA-N 1 2 351.407 1.214 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000576789083 491644948 /nfs/dbraw/zinc/64/49/48/491644948.db2.gz AKOJRARGNVRTCQ-UHFFFAOYSA-N 1 2 358.345 0.850 20 5 FCBDLO CC[C@H]1C[N@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000578578813 491680255 /nfs/dbraw/zinc/68/02/55/491680255.db2.gz NCQPAIRLTJHBTL-NSHDSACASA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000578578813 491680256 /nfs/dbraw/zinc/68/02/56/491680256.db2.gz NCQPAIRLTJHBTL-NSHDSACASA-N 1 2 358.420 0.765 20 5 FCBDLO C[NH2+][C@H](C)Cc1noc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000581131081 491760480 /nfs/dbraw/zinc/76/04/80/491760480.db2.gz GZRJOTKGXOZMBJ-SECBINFHSA-N 1 2 355.376 0.607 20 5 FCBDLO O=C(C[NH+]1CCC(O)(CO)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595735984 491951013 /nfs/dbraw/zinc/95/10/13/491951013.db2.gz KIEVDCYMCPAUGR-UHFFFAOYSA-N 1 2 353.331 0.081 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596187397 491978630 /nfs/dbraw/zinc/97/86/30/491978630.db2.gz ZBBOUTFTRWVFGS-UHFFFAOYSA-N 1 2 366.374 0.005 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@H](C)CO1 ZINC000596428024 491985066 /nfs/dbraw/zinc/98/50/66/491985066.db2.gz GNCZKQUHSZSVCR-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)[C@H](C)CO1 ZINC000596428024 491985068 /nfs/dbraw/zinc/98/50/68/491985068.db2.gz GNCZKQUHSZSVCR-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000602787798 491998545 /nfs/dbraw/zinc/99/85/45/491998545.db2.gz KBTYQWQNCHDMDW-AWEZNQCLSA-N 1 2 364.450 0.728 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000602787798 491998547 /nfs/dbraw/zinc/99/85/47/491998547.db2.gz KBTYQWQNCHDMDW-AWEZNQCLSA-N 1 2 364.450 0.728 20 5 FCBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000604101988 492050504 /nfs/dbraw/zinc/05/05/04/492050504.db2.gz DUYXFJOEEJCRCE-UHFFFAOYSA-N 1 2 373.373 0.037 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000604383454 492059772 /nfs/dbraw/zinc/05/97/72/492059772.db2.gz GXJPTOBZDYJBMU-OAHLLOKOSA-N 1 2 354.432 0.871 20 5 FCBDLO 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KPGYBZPJEYFTGE-NEPJUHHUSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285752297 213389323 /nfs/dbraw/zinc/38/93/23/213389323.db2.gz QZCRRWBHJIHCOI-WFASDCNBSA-N 1 2 362.386 0.855 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263856306 209779386 /nfs/dbraw/zinc/77/93/86/209779386.db2.gz IGTMKGNVILAKHH-UHFFFAOYSA-N 1 2 351.359 0.770 20 5 FCBDLO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284674165 213195458 /nfs/dbraw/zinc/19/54/58/213195458.db2.gz NOHPIZHTYXXZTL-JKSUJKDBSA-N 1 2 369.443 0.872 20 5 FCBDLO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000284674165 213195459 /nfs/dbraw/zinc/19/54/59/213195459.db2.gz NOHPIZHTYXXZTL-JKSUJKDBSA-N 1 2 369.443 0.872 20 5 FCBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000284414687 213133372 /nfs/dbraw/zinc/13/33/72/213133372.db2.gz OCUIVXGZSUHGPN-ZDUSSCGKSA-N 1 2 367.402 0.759 20 5 FCBDLO 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ZINC000275801841 212093407 /nfs/dbraw/zinc/09/34/07/212093407.db2.gz MQXOZMUIWROWMV-UHFFFAOYSA-N 1 2 350.375 0.632 20 5 FCBDLO COc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000275733095 212082019 /nfs/dbraw/zinc/08/20/19/212082019.db2.gz AKSQVZZQCFIYLN-UHFFFAOYSA-N 1 2 366.374 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000275456601 212030918 /nfs/dbraw/zinc/03/09/18/212030918.db2.gz CYMSRIZCZWUKGU-GJZGRUSLSA-N 1 2 374.353 0.919 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275388197 212017565 /nfs/dbraw/zinc/01/75/65/212017565.db2.gz MYLYNRCOJHXKID-NSHDSACASA-N 1 2 359.404 0.291 20 5 FCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428352543 247586538 /nfs/dbraw/zinc/58/65/38/247586538.db2.gz QQBTTZDKBOOEAC-ZDUSSCGKSA-N 1 2 372.385 0.722 20 5 FCBDLO CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000433486116 247869068 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YZRSTDLQKMIAKF-LBPRGKRZSA-N 1 2 367.387 0.898 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442828933 248298427 /nfs/dbraw/zinc/29/84/27/248298427.db2.gz SUBBJBVYTKHRHU-MRXNPFEDSA-N 1 2 367.406 0.864 20 5 FCBDLO C[C@@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCOCC1 ZINC000443235668 248313182 /nfs/dbraw/zinc/31/31/82/248313182.db2.gz CYIJVWYFVZEFEI-GFCCVEGCSA-N 1 2 365.433 0.018 20 5 FCBDLO COc1cccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000444296520 248354540 /nfs/dbraw/zinc/35/45/40/248354540.db2.gz YOXPREUHPODBKU-MRXNPFEDSA-N 1 2 353.375 0.416 20 5 FCBDLO CCOC1CC(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000444541313 248363654 /nfs/dbraw/zinc/36/36/54/248363654.db2.gz BWYPUWSSJQAPMU-UHFFFAOYSA-N 1 2 367.406 0.626 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000271321300 211378719 /nfs/dbraw/zinc/37/87/19/211378719.db2.gz JVZPVJBKWIAVMY-GFCCVEGCSA-N 1 2 356.404 0.207 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000271321300 211378726 /nfs/dbraw/zinc/37/87/26/211378726.db2.gz JVZPVJBKWIAVMY-GFCCVEGCSA-N 1 2 356.404 0.207 20 5 FCBDLO COc1cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc([N+](=O)[O-])c1OC ZINC000271033734 211320895 /nfs/dbraw/zinc/32/08/95/211320895.db2.gz PRBOZLSNCPBNPY-UHFFFAOYSA-N 1 2 366.374 0.164 20 5 FCBDLO COc1cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc([N+](=O)[O-])c1OC ZINC000271033734 211320900 /nfs/dbraw/zinc/32/09/00/211320900.db2.gz PRBOZLSNCPBNPY-UHFFFAOYSA-N 1 2 366.374 0.164 20 5 FCBDLO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000469989658 250019570 /nfs/dbraw/zinc/01/95/70/250019570.db2.gz CUHHFCWVOVJIAN-DGCLKSJQSA-N 1 2 351.359 0.974 20 5 FCBDLO C[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](CO)O1 ZINC000469989658 250019573 /nfs/dbraw/zinc/01/95/73/250019573.db2.gz CUHHFCWVOVJIAN-DGCLKSJQSA-N 1 2 351.359 0.974 20 5 FCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 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COC(=O)c1cc(NCCC[N@H+]2CCNC(=O)C2)cc(C)c1[N+](=O)[O-] ZINC000278779541 488895753 /nfs/dbraw/zinc/89/57/53/488895753.db2.gz PEHQZQARDSVCGE-UHFFFAOYSA-N 1 2 350.375 0.924 20 5 FCBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363901036 488898579 /nfs/dbraw/zinc/89/85/79/488898579.db2.gz SBZNXLWTPUDOMQ-GFCCVEGCSA-N 1 2 363.370 0.913 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278870453 488901556 /nfs/dbraw/zinc/90/15/56/488901556.db2.gz RVZZQNWXGIZLCZ-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278870453 488901559 /nfs/dbraw/zinc/90/15/59/488901559.db2.gz RVZZQNWXGIZLCZ-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000287889418 488918250 /nfs/dbraw/zinc/91/82/50/488918250.db2.gz OMHGANAQHSRDTC-UHFFFAOYSA-N 1 2 360.374 0.630 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 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CC(=O)N1CC[NH+](CCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000066046056 488324030 /nfs/dbraw/zinc/32/40/30/488324030.db2.gz RTSBITUJAHCOCW-UHFFFAOYSA-N 1 2 373.413 0.830 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068945010 488370130 /nfs/dbraw/zinc/37/01/30/488370130.db2.gz YMHZHSXQORXRLT-UHFFFAOYSA-N 1 2 370.431 0.426 20 5 FCBDLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000075887419 488400223 /nfs/dbraw/zinc/40/02/23/488400223.db2.gz DUOCSCCMBSOTIK-JQWIXIFHSA-N 1 2 354.367 0.765 20 5 FCBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000075887419 488400225 /nfs/dbraw/zinc/40/02/25/488400225.db2.gz DUOCSCCMBSOTIK-JQWIXIFHSA-N 1 2 354.367 0.765 20 5 FCBDLO O=[N+]([O-])c1cnn(CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245411219 488463251 /nfs/dbraw/zinc/46/32/51/488463251.db2.gz VVIBZPOYQGHBPI-JSGCOSHPSA-N 1 2 358.420 0.459 20 5 FCBDLO 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COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475701419 489843485 /nfs/dbraw/zinc/84/34/85/489843485.db2.gz LOWJJAXCWCNMIF-YGRLFVJLSA-N 1 2 367.358 0.221 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000461196430 489898767 /nfs/dbraw/zinc/89/87/67/489898767.db2.gz OXZKNOPSPGSKGO-UHFFFAOYSA-N 1 2 350.356 0.851 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000377462337 489907066 /nfs/dbraw/zinc/90/70/66/489907066.db2.gz ZNQLNGMLZHSVCG-OAHLLOKOSA-N 1 2 369.447 0.506 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494871123 489917763 /nfs/dbraw/zinc/91/77/63/489917763.db2.gz NGNJIAIZGCOUKG-ZDUSSCGKSA-N 1 2 366.422 0.859 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494871123 489917764 /nfs/dbraw/zinc/91/77/64/489917764.db2.gz NGNJIAIZGCOUKG-ZDUSSCGKSA-N 1 2 366.422 0.859 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000571175075 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ZINC000532950917 490145215 /nfs/dbraw/zinc/14/52/15/490145215.db2.gz XRDGKUMNSDARDP-CQSZACIVSA-N 1 2 365.342 0.767 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000520753568 490185101 /nfs/dbraw/zinc/18/51/01/490185101.db2.gz FFPUVIGVEQIASN-CYBMUJFWSA-N 1 2 364.402 0.987 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000520753568 490185105 /nfs/dbraw/zinc/18/51/05/490185105.db2.gz FFPUVIGVEQIASN-CYBMUJFWSA-N 1 2 364.402 0.987 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000507197889 490187933 /nfs/dbraw/zinc/18/79/33/490187933.db2.gz SQRSRBJMUJLCLX-ZDUSSCGKSA-N 1 2 351.407 0.653 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466924471 490226107 /nfs/dbraw/zinc/22/61/07/490226107.db2.gz AHQYUXHJMVRDBC-GHMZBOCLSA-N 1 2 365.390 0.934 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466924471 490226110 /nfs/dbraw/zinc/22/61/10/490226110.db2.gz AHQYUXHJMVRDBC-GHMZBOCLSA-N 1 2 365.390 0.934 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000547333723 490281070 /nfs/dbraw/zinc/28/10/70/490281070.db2.gz WSWYFZCEZZGGFK-GFCCVEGCSA-N 1 2 364.402 0.987 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000547333723 490281074 /nfs/dbraw/zinc/28/10/74/490281074.db2.gz WSWYFZCEZZGGFK-GFCCVEGCSA-N 1 2 364.402 0.987 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1[N+](=O)[O-] ZINC000467522794 490307692 /nfs/dbraw/zinc/30/76/92/490307692.db2.gz RCTWLVHGPJSOJC-TZMCWYRMSA-N 1 2 363.370 0.857 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1[N+](=O)[O-] ZINC000467522794 490307702 /nfs/dbraw/zinc/30/77/02/490307702.db2.gz RCTWLVHGPJSOJC-TZMCWYRMSA-N 1 2 363.370 0.857 20 5 FCBDLO O=C(C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1)NC1CC1 ZINC000509050314 490384050 /nfs/dbraw/zinc/38/40/50/490384050.db2.gz CDLDCYSOPPRTFB-UHFFFAOYSA-N 1 2 356.386 0.939 20 5 FCBDLO O=C(CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450269482 490455213 /nfs/dbraw/zinc/45/52/13/490455213.db2.gz JCFVDNCPZHSWNK-UHFFFAOYSA-N 1 2 359.342 0.057 20 5 FCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCc1[nH]cc[nH+]1 ZINC000468854614 490457091 /nfs/dbraw/zinc/45/70/91/490457091.db2.gz GGSNCLVYFMLFBX-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(n2cc[nH+]c2)C1 ZINC000523698427 490487991 /nfs/dbraw/zinc/48/79/91/490487991.db2.gz KGMAHQZOAKCZPT-UHFFFAOYSA-N 1 2 357.326 0.600 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000548761142 490539165 /nfs/dbraw/zinc/53/91/65/490539165.db2.gz GIXNOXZMPWKDRN-ZDUSSCGKSA-N 1 2 370.431 0.723 20 5 FCBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000486012875 490584106 /nfs/dbraw/zinc/58/41/06/490584106.db2.gz WNYAFBQWVJREHZ-LBPRGKRZSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000486012875 490584110 /nfs/dbraw/zinc/58/41/10/490584110.db2.gz WNYAFBQWVJREHZ-LBPRGKRZSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000486029419 490585520 /nfs/dbraw/zinc/58/55/20/490585520.db2.gz BBRXKLCAEHWQGD-LLVKDONJSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000486029419 490585521 /nfs/dbraw/zinc/58/55/21/490585521.db2.gz BBRXKLCAEHWQGD-LLVKDONJSA-N 1 2 358.420 0.765 20 5 FCBDLO Cc1nc(N)c(CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000556844108 491340517 /nfs/dbraw/zinc/34/05/17/491340517.db2.gz NBOFAITYKOZSFM-UHFFFAOYSA-N 1 2 372.341 0.317 20 5 FCBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000511822515 490630379 /nfs/dbraw/zinc/63/03/79/490630379.db2.gz MHDSALNXWWHCJY-OAHLLOKOSA-N 1 2 374.401 0.684 20 5 FCBDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000511878211 490634016 /nfs/dbraw/zinc/63/40/16/490634016.db2.gz XEMMHPVJBLRYAU-AWEZNQCLSA-N 1 2 364.402 0.763 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000513311273 490721362 /nfs/dbraw/zinc/72/13/62/490721362.db2.gz TZUDWGIQCJBDAN-LLVKDONJSA-N 1 2 353.400 0.965 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000513311273 490721365 /nfs/dbraw/zinc/72/13/65/490721365.db2.gz TZUDWGIQCJBDAN-LLVKDONJSA-N 1 2 353.400 0.965 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCNC(=O)N(C)C ZINC000539727491 490793711 /nfs/dbraw/zinc/79/37/11/490793711.db2.gz UIRYBMADMBMXFJ-UHFFFAOYSA-N 1 2 353.379 0.745 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000539727491 490793714 /nfs/dbraw/zinc/79/37/14/490793714.db2.gz UIRYBMADMBMXFJ-UHFFFAOYSA-N 1 2 353.379 0.745 20 5 FCBDLO C[C@@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000542764097 490907570 /nfs/dbraw/zinc/90/75/70/490907570.db2.gz BIDBNJTUOZFZTM-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000543912036 490951337 /nfs/dbraw/zinc/95/13/37/490951337.db2.gz CVDRZAABXYRZOJ-CYBMUJFWSA-N 1 2 364.402 0.470 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000543912036 490951340 /nfs/dbraw/zinc/95/13/40/490951340.db2.gz CVDRZAABXYRZOJ-CYBMUJFWSA-N 1 2 364.402 0.470 20 5 FCBDLO CN1CC[N@H+](C)C[C@H]1c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000545086338 490987557 /nfs/dbraw/zinc/98/75/57/490987557.db2.gz HPQFDAINFNEIFC-AWEZNQCLSA-N 1 2 374.401 0.869 20 5 FCBDLO CN1CC[N@@H+](C)C[C@H]1c1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000545086338 490987559 /nfs/dbraw/zinc/98/75/59/490987559.db2.gz HPQFDAINFNEIFC-AWEZNQCLSA-N 1 2 374.401 0.869 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000557484726 491376900 /nfs/dbraw/zinc/37/69/00/491376900.db2.gz ACWSKBFYRGOTMF-UHFFFAOYSA-N 1 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C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000561356708 491600791 /nfs/dbraw/zinc/60/07/91/491600791.db2.gz YXHNOXQHHVDKHV-VXGBXAGGSA-N 1 2 370.431 0.542 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000584537650 491601531 /nfs/dbraw/zinc/60/15/31/491601531.db2.gz PEMVKHLMHZCPCN-NSHDSACASA-N 1 2 352.416 0.940 20 5 FCBDLO CN1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000576456066 491616245 /nfs/dbraw/zinc/61/62/45/491616245.db2.gz GNRYXNJCXYQQNV-CYBMUJFWSA-N 1 2 355.416 0.921 20 5 FCBDLO CN1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000576456066 491616250 /nfs/dbraw/zinc/61/62/50/491616250.db2.gz GNRYXNJCXYQQNV-CYBMUJFWSA-N 1 2 355.416 0.921 20 5 FCBDLO C[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000578835606 491685341 /nfs/dbraw/zinc/68/53/41/491685341.db2.gz ZPEDVWQXALHABF-ZDUSSCGKSA-N 1 2 364.402 0.263 20 5 FCBDLO CNc1nccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)c1[N+](=O)[O-] ZINC000579612197 491701652 /nfs/dbraw/zinc/70/16/52/491701652.db2.gz BENHDHVWYDQDAJ-LLVKDONJSA-N 1 2 365.390 0.646 20 5 FCBDLO CNc1nccc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)c1[N+](=O)[O-] ZINC000579612197 491701653 /nfs/dbraw/zinc/70/16/53/491701653.db2.gz BENHDHVWYDQDAJ-LLVKDONJSA-N 1 2 365.390 0.646 20 5 FCBDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590362473 491774070 /nfs/dbraw/zinc/77/40/70/491774070.db2.gz LXKUHHITBAQVIN-JTQLQIEISA-N 1 2 362.346 0.720 20 5 FCBDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590362473 491774072 /nfs/dbraw/zinc/77/40/72/491774072.db2.gz LXKUHHITBAQVIN-JTQLQIEISA-N 1 2 362.346 0.720 20 5 FCBDLO Cc1c(C(=O)NCc2c[nH+]c(C)nc2N)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590547083 491778534 /nfs/dbraw/zinc/77/85/34/491778534.db2.gz YTRICJDGNBUEJD-UHFFFAOYSA-N 1 2 368.357 1.095 20 5 FCBDLO COC(=O)c1ccnc(NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000590572478 491779800 /nfs/dbraw/zinc/77/98/00/491779800.db2.gz MQRFIEHTPRGMJZ-UHFFFAOYSA-N 1 2 351.363 0.352 20 5 FCBDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583154666 491839200 /nfs/dbraw/zinc/83/92/00/491839200.db2.gz GDNWWJUUXNGHCW-CVEARBPZSA-N 1 2 359.386 0.634 20 5 FCBDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000583154666 491839201 /nfs/dbraw/zinc/83/92/01/491839201.db2.gz GDNWWJUUXNGHCW-CVEARBPZSA-N 1 2 359.386 0.634 20 5 FCBDLO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000594967389 491873556 /nfs/dbraw/zinc/87/35/56/491873556.db2.gz YCNAWTBAXVFUPF-HZMBPMFUSA-N 1 2 360.388 0.514 20 5 FCBDLO O=C1C[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC000595291031 491913713 /nfs/dbraw/zinc/91/37/13/491913713.db2.gz WCICBSKESMUFLS-LBPRGKRZSA-N 1 2 368.415 0.037 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596065284 491974346 /nfs/dbraw/zinc/97/43/46/491974346.db2.gz PLIFUPDCKOLTSQ-NSHDSACASA-N 1 2 361.402 0.483 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434934 491986061 /nfs/dbraw/zinc/98/60/61/491986061.db2.gz ZKBGJKWPLHLLQL-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000596434934 491986063 /nfs/dbraw/zinc/98/60/63/491986063.db2.gz ZKBGJKWPLHLLQL-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596502051 491987852 /nfs/dbraw/zinc/98/78/52/491987852.db2.gz GLWZRDDIPJYJRO-UHFFFAOYSA-N 1 2 366.422 0.545 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000603580759 492037931 /nfs/dbraw/zinc/03/79/31/492037931.db2.gz MTMQLECLFNZUNV-UHFFFAOYSA-N 1 2 374.401 0.851 20 5 FCBDLO Cn1c(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000604103040 492050430 /nfs/dbraw/zinc/05/04/30/492050430.db2.gz VWKLSNNDXXUZAR-UHFFFAOYSA-N 1 2 359.390 0.275 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614853849 492060397 /nfs/dbraw/zinc/06/03/97/492060397.db2.gz ISMKTDWTQMRLIO-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614853849 492060398 /nfs/dbraw/zinc/06/03/98/492060398.db2.gz ISMKTDWTQMRLIO-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1[nH+]ccn1C ZINC000598460633 492100130 /nfs/dbraw/zinc/10/01/30/492100130.db2.gz UOGZPRSVDLFBQM-SECBINFHSA-N 1 2 357.326 0.802 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598894626 492120567 /nfs/dbraw/zinc/12/05/67/492120567.db2.gz OONFRLOEHCJSBW-GFCCVEGCSA-N 1 2 365.390 0.553 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599645545 492196021 /nfs/dbraw/zinc/19/60/21/492196021.db2.gz APKFIGVPFCFZPM-SNVBAGLBSA-N 1 2 371.419 0.179 20 5 FCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599715087 492201824 /nfs/dbraw/zinc/20/18/24/492201824.db2.gz PHYKTPSKJFFNKJ-ZDUSSCGKSA-N 1 2 374.376 0.649 20 5 FCBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609521739 492211412 /nfs/dbraw/zinc/21/14/12/492211412.db2.gz CMPRTYHLHUMFCF-UHFFFAOYSA-N 1 2 367.387 0.645 20 5 FCBDLO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000609841260 492223995 /nfs/dbraw/zinc/22/39/95/492223995.db2.gz KGFBRBIRDOFFDC-WCQYABFASA-N 1 2 368.438 0.664 20 5 FCBDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610260648 492240242 /nfs/dbraw/zinc/24/02/42/492240242.db2.gz VYPLFTUMWLUVOS-LBPRGKRZSA-N 1 2 358.420 0.625 20 5 FCBDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610260648 492240244 /nfs/dbraw/zinc/24/02/44/492240244.db2.gz VYPLFTUMWLUVOS-LBPRGKRZSA-N 1 2 358.420 0.625 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000610782904 492262297 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0.651 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CC[NH+](CCOCCOC)CC2)c1[N+](=O)[O-] ZINC000593887546 546994140 /nfs/dbraw/zinc/99/41/40/546994140.db2.gz VDTAHVOZSBWUCQ-UHFFFAOYSA-N 1 2 355.395 0.301 20 5 FCBDLO CCc1[nH]nc(C(=O)N2CC[NH+](CCOCCOC)CC2)c1[N+](=O)[O-] ZINC000593887546 546994143 /nfs/dbraw/zinc/99/41/43/546994143.db2.gz VDTAHVOZSBWUCQ-UHFFFAOYSA-N 1 2 355.395 0.301 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](Cc3ccon3)CC2)C1 ZINC000949091700 674393968 /nfs/dbraw/zinc/39/39/68/674393968.db2.gz CIPOMPBECBYMQA-ZIAGYGMSSA-N 1 2 350.375 0.533 20 5 FCBDLO CC(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000823981743 607451338 /nfs/dbraw/zinc/45/13/38/607451338.db2.gz QGPPYTKWXWYCAB-UHFFFAOYSA-N 1 2 360.378 0.351 20 5 FCBDLO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000820769533 606225952 /nfs/dbraw/zinc/22/59/52/606225952.db2.gz VIPIVLGRUKVGDW-XHDPSFHLSA-N 1 2 359.390 0.932 20 5 FCBDLO CCOCC[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000821378115 606708017 /nfs/dbraw/zinc/70/80/17/606708017.db2.gz IVUQCVSUFYLZPX-NSHDSACASA-N 1 2 362.394 0.717 20 5 FCBDLO CCOCC[N@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000821378115 606708018 /nfs/dbraw/zinc/70/80/18/606708018.db2.gz IVUQCVSUFYLZPX-NSHDSACASA-N 1 2 362.394 0.717 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000823621181 607166607 /nfs/dbraw/zinc/16/66/07/607166607.db2.gz YITBMTAUEVQLOT-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO O=C(C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)N1CCCC1 ZINC001035704138 667789629 /nfs/dbraw/zinc/78/96/29/667789629.db2.gz FGVYRNOMOIVKIC-ZIAGYGMSSA-N 1 2 350.419 0.198 20 5 FCBDLO Cn1c[nH+]cc1CS(=O)(=O)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000783941592 668637503 /nfs/dbraw/zinc/63/75/03/668637503.db2.gz GQRLHPNUXIABSY-UHFFFAOYSA-N 1 2 373.412 0.717 20 5 FCBDLO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795924184 669071878 /nfs/dbraw/zinc/07/18/78/669071878.db2.gz HDCZDGSEZVDHLE-GFCCVEGCSA-N 1 2 367.786 0.732 20 5 FCBDLO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795924184 669071882 /nfs/dbraw/zinc/07/18/82/669071882.db2.gz HDCZDGSEZVDHLE-GFCCVEGCSA-N 1 2 367.786 0.732 20 5 FCBDLO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1nccs1 ZINC001055624083 676028575 /nfs/dbraw/zinc/02/85/75/676028575.db2.gz UWXIBDFIXSUXEY-VXGBXAGGSA-N 1 2 367.431 0.119 20 5 FCBDLO CCn1nc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001001398473 676070932 /nfs/dbraw/zinc/07/09/32/676070932.db2.gz FMZYERUDARZDHS-UKRRQHHQSA-N 1 2 350.423 0.600 20 5 FCBDLO C[NH+](C)Cc1ccoc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011114212 675373149 /nfs/dbraw/zinc/37/31/49/675373149.db2.gz AZJUPUZKTPTHAI-CHWSQXEVSA-N 1 2 350.375 0.291 20 5 FCBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000119861999 675440413 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/nfs/dbraw/zinc/51/40/86/1186514086.db2.gz OJFPTEYVZUPOBR-ZIAGYGMSSA-N 1 2 361.402 0.575 20 5 FCBDLO C[C@](O)(CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[NH+]1CCOCC1 ZINC000433405295 1187593495 /nfs/dbraw/zinc/59/34/95/1187593495.db2.gz ZZIBWCKQSTYXMC-INIZCTEOSA-N 1 2 363.374 1.140 20 5 FCBDLO CNc1nccc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000553164583 1193977056 /nfs/dbraw/zinc/97/70/56/1193977056.db2.gz WGBIPIUMWGSYQB-NSHDSACASA-N 1 2 365.390 0.741 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000592929350 1196741867 /nfs/dbraw/zinc/74/18/67/1196741867.db2.gz NMZYOJHGKALEQB-STQMWFEESA-N 1 2 374.353 0.777 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000593886602 1196835293 /nfs/dbraw/zinc/83/52/93/1196835293.db2.gz KKNQSSGQOFANRS-UHFFFAOYSA-N 1 2 369.422 0.297 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000788379165 1200958236 /nfs/dbraw/zinc/95/82/36/1200958236.db2.gz UDHXTTNBFHIALM-GFCCVEGCSA-N 1 2 362.386 0.801 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000807281770 1202816876 /nfs/dbraw/zinc/81/68/76/1202816876.db2.gz VUWHNHCORKBMFB-CYBMUJFWSA-N 1 2 362.342 0.837 20 5 FCBDLO Cc1ccncc1C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001093318234 1206075065 /nfs/dbraw/zinc/07/50/65/1206075065.db2.gz DTXNYVMBRSMJDC-HZPDHXFCSA-N 1 2 371.401 0.320 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934322146 1211861423 /nfs/dbraw/zinc/86/14/23/1211861423.db2.gz JDHDOAKBEHPKSN-GVDBMIGSSA-N 1 2 363.414 0.850 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC000949092315 1212288992 /nfs/dbraw/zinc/28/89/92/1212288992.db2.gz UEDIOHUHNMVDGZ-ZIAGYGMSSA-N 1 2 361.402 0.335 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010658106 1213806695 /nfs/dbraw/zinc/80/66/95/1213806695.db2.gz TVDMKPYXICAOBM-ZIAGYGMSSA-N 1 2 361.402 0.308 20 5 FCBDLO Cc1c[nH+]cn1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010736342 1213813023 /nfs/dbraw/zinc/81/30/23/1213813023.db2.gz RHBNEKLPJUFBHW-ZIAGYGMSSA-N 1 2 361.402 0.308 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)cn1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011112916 1213828827 /nfs/dbraw/zinc/82/88/27/1213828827.db2.gz XAGKDWWWBONTMF-UKRRQHHQSA-N 1 2 370.369 0.217 20 5 FCBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011114352 1213830079 /nfs/dbraw/zinc/83/00/79/1213830079.db2.gz FVVWVYAHJIOXDG-UKRRQHHQSA-N 1 2 370.369 0.217 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)ccn12 ZINC001011115238 1213831156 /nfs/dbraw/zinc/83/11/56/1213831156.db2.gz ZCCQUICTAXCJNU-ZIAGYGMSSA-N 1 2 357.370 0.592 20 5 FCBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnnn2Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140529 1214313910 /nfs/dbraw/zinc/31/39/10/1214313910.db2.gz MYCCOOBUOUYDFC-KBUPBQIOSA-N 1 2 371.401 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C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245662073 209372122 /nfs/dbraw/zinc/37/21/22/209372122.db2.gz FYCVPYUROYITMP-KGLIPLIRSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245662073 209372126 /nfs/dbraw/zinc/37/21/26/209372126.db2.gz FYCVPYUROYITMP-KGLIPLIRSA-N 1 2 371.459 0.854 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376869 216390971 /nfs/dbraw/zinc/39/09/71/216390971.db2.gz ABZHUEMQOXIEHF-QEJZJMRPSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376869 216390977 /nfs/dbraw/zinc/39/09/77/216390977.db2.gz ABZHUEMQOXIEHF-QEJZJMRPSA-N 1 2 354.359 0.597 20 5 FCBDLO O=C(Cc1noc(-c2cccc([N+](=O)[O-])c2)n1)NCC[NH+]1CCOCC1 ZINC000278108442 212426811 /nfs/dbraw/zinc/42/68/11/212426811.db2.gz ZAALWHHIDQIHNH-UHFFFAOYSA-N 1 2 361.358 0.636 20 5 FCBDLO COc1cc(OCC(=O)NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000277787633 212397114 /nfs/dbraw/zinc/39/71/14/212397114.db2.gz FOQCSAFDGIEACZ-UHFFFAOYSA-N 1 2 365.386 0.963 20 5 FCBDLO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187177475 209206150 /nfs/dbraw/zinc/20/61/50/209206150.db2.gz AHVLWCGOLDUNLH-GFCCVEGCSA-N 1 2 351.407 0.699 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656829 212068476 /nfs/dbraw/zinc/06/84/76/212068476.db2.gz XRYZSEHEBVPJNK-KYOSRNDESA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656829 212068478 /nfs/dbraw/zinc/06/84/78/212068478.db2.gz XRYZSEHEBVPJNK-KYOSRNDESA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000275456607 212030523 /nfs/dbraw/zinc/03/05/23/212030523.db2.gz CYMSRIZCZWUKGU-HUUCEWRRSA-N 1 2 374.353 0.919 20 5 FCBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000374798820 217175220 /nfs/dbraw/zinc/17/52/20/217175220.db2.gz KVUQOPOSJPXRIX-JKSUJKDBSA-N 1 2 369.443 0.956 20 5 FCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182590662 209132777 /nfs/dbraw/zinc/13/27/77/209132777.db2.gz BTBUMDKAJJLBQU-NSHDSACASA-N 1 2 356.329 0.926 20 5 FCBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182442563 209131650 /nfs/dbraw/zinc/13/16/50/209131650.db2.gz YEIIISOUPIKPGU-UHFFFAOYSA-N 1 2 363.823 0.937 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000376201219 217368799 /nfs/dbraw/zinc/36/87/99/217368799.db2.gz VOFBKUWKTMVUSM-RYUDHWBXSA-N 1 2 370.431 0.542 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000376911176 217467618 /nfs/dbraw/zinc/46/76/18/217467618.db2.gz OGSYERNZUCGELA-AWEZNQCLSA-N 1 2 362.386 0.855 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000376911176 217467620 /nfs/dbraw/zinc/46/76/20/217467620.db2.gz OGSYERNZUCGELA-AWEZNQCLSA-N 1 2 362.386 0.855 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000419341970 246107273 /nfs/dbraw/zinc/10/72/73/246107273.db2.gz BIGWQVABFCLMAM-CYBMUJFWSA-N 1 2 351.359 0.857 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000419341970 246107274 /nfs/dbraw/zinc/10/72/74/246107274.db2.gz BIGWQVABFCLMAM-CYBMUJFWSA-N 1 2 351.359 0.857 20 5 FCBDLO C[C@H]([C@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000272872807 211625229 /nfs/dbraw/zinc/62/52/29/211625229.db2.gz DODFRGCIIZYBGA-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO CN1C(=O)CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000425084056 247290690 /nfs/dbraw/zinc/29/06/90/247290690.db2.gz IVEXCHYTJUOILY-NSHDSACASA-N 1 2 357.326 0.658 20 5 FCBDLO Cc1ccc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000443236500 248313273 /nfs/dbraw/zinc/31/32/73/248313273.db2.gz GGVFPWBXWAGJIS-HNNXBMFYSA-N 1 2 373.431 0.265 20 5 FCBDLO C[C@@](O)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000443750175 248337751 /nfs/dbraw/zinc/33/77/51/248337751.db2.gz ZWXYPFOFEJAIDF-OAHLLOKOSA-N 1 2 373.431 0.097 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271340995 211384804 /nfs/dbraw/zinc/38/48/04/211384804.db2.gz NFHCUUZNCMMTNA-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271340995 211384809 /nfs/dbraw/zinc/38/48/09/211384809.db2.gz NFHCUUZNCMMTNA-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000271294826 211374093 /nfs/dbraw/zinc/37/40/93/211374093.db2.gz AXYUEDDFHXRVCX-NSHDSACASA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1F ZINC000271294826 211374099 /nfs/dbraw/zinc/37/40/99/211374099.db2.gz AXYUEDDFHXRVCX-NSHDSACASA-N 1 2 360.411 0.566 20 5 FCBDLO COc1cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000271169485 211350053 /nfs/dbraw/zinc/35/00/53/211350053.db2.gz DIQVGXXSXYVHPN-UHFFFAOYSA-N 1 2 366.418 0.994 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472640276 250168727 /nfs/dbraw/zinc/16/87/27/250168727.db2.gz WTVWUSQBMWNKTK-SNVBAGLBSA-N 1 2 354.338 0.509 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472640276 250168733 /nfs/dbraw/zinc/16/87/33/250168733.db2.gz WTVWUSQBMWNKTK-SNVBAGLBSA-N 1 2 354.338 0.509 20 5 FCBDLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472630756 250169380 /nfs/dbraw/zinc/16/93/80/250169380.db2.gz OONOGWCERJPNHM-LLVKDONJSA-N 1 2 368.365 0.852 20 5 FCBDLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472630756 250169384 /nfs/dbraw/zinc/16/93/84/250169384.db2.gz OONOGWCERJPNHM-LLVKDONJSA-N 1 2 368.365 0.852 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000082984841 208104565 /nfs/dbraw/zinc/10/45/65/208104565.db2.gz FMLGVGBNSTWKAO-AWEZNQCLSA-N 1 2 371.821 0.942 20 5 FCBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000106820793 208233913 /nfs/dbraw/zinc/23/39/13/208233913.db2.gz ZFDLWCTWBDSCEB-LBPRGKRZSA-N 1 2 354.382 0.865 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000117106876 208341316 /nfs/dbraw/zinc/34/13/16/208341316.db2.gz PNIAOXDYYOYULV-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000044535208 208315547 /nfs/dbraw/zinc/31/55/47/208315547.db2.gz VEIZATYZRGAKOM-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266547819 210355842 /nfs/dbraw/zinc/35/58/42/210355842.db2.gz SEKAUZWWCSRWMB-CQSZACIVSA-N 1 2 368.415 0.688 20 5 FCBDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266547819 210355846 /nfs/dbraw/zinc/35/58/46/210355846.db2.gz SEKAUZWWCSRWMB-CQSZACIVSA-N 1 2 368.415 0.688 20 5 FCBDLO COC(=O)CNC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266578644 210360312 /nfs/dbraw/zinc/36/03/12/210360312.db2.gz HCBSITYRYZCBIM-UHFFFAOYSA-N 1 2 351.359 0.727 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000159736220 208823220 /nfs/dbraw/zinc/82/32/20/208823220.db2.gz JDDDHXHKPZWQAF-UHFFFAOYSA-N 1 2 350.379 0.088 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000159736220 208823224 /nfs/dbraw/zinc/82/32/24/208823224.db2.gz JDDDHXHKPZWQAF-UHFFFAOYSA-N 1 2 350.379 0.088 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413855176 533298625 /nfs/dbraw/zinc/29/86/25/533298625.db2.gz NOMKGOAELRRZCT-DFBGVHRSSA-N 1 2 362.386 0.255 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413855176 533298630 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YPJNMHFDINLQJJ-OAHLLOKOSA-N 1 2 372.385 0.722 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000287833793 488911872 /nfs/dbraw/zinc/91/18/72/488911872.db2.gz DAXQJYUUAQKKDS-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO Cn1c(=O)cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n(C)c1=O ZINC000010519937 487535697 /nfs/dbraw/zinc/53/56/97/487535697.db2.gz CHBGWGXYZWNLPC-UHFFFAOYSA-N 1 2 359.386 0.314 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000022195953 487619220 /nfs/dbraw/zinc/61/92/20/487619220.db2.gz UYBYRJKVWMGTNF-LLVKDONJSA-N 1 2 361.402 0.483 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000026976260 487688932 /nfs/dbraw/zinc/68/89/32/487688932.db2.gz UCTJTQGZHCLYEH-UHFFFAOYSA-N 1 2 370.431 0.392 20 5 FCBDLO CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000029673325 487729022 /nfs/dbraw/zinc/72/90/22/487729022.db2.gz CYXVOCAHVXDQFF-OAHLLOKOSA-N 1 2 366.418 0.088 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000041408303 487826522 /nfs/dbraw/zinc/82/65/22/487826522.db2.gz JIKYNLYUFBXOAZ-CQSZACIVSA-N 1 2 355.420 0.115 20 5 FCBDLO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000041739500 487839567 /nfs/dbraw/zinc/83/95/67/487839567.db2.gz HFXKQRKKOFOIRI-NSHDSACASA-N 1 2 350.375 0.679 20 5 FCBDLO CNC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000050784411 488113926 /nfs/dbraw/zinc/11/39/26/488113926.db2.gz AIIFEUXPWIXTBE-AWEZNQCLSA-N 1 2 360.370 0.685 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000051013269 488119424 /nfs/dbraw/zinc/11/94/24/488119424.db2.gz WDEIYGYVBNCEFY-HNNXBMFYSA-N 1 2 359.386 0.981 20 5 FCBDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C1 ZINC000052721508 488180093 /nfs/dbraw/zinc/18/00/93/488180093.db2.gz VIPNMVCBNONHBH-KBPBESRZSA-N 1 2 364.450 0.955 20 5 FCBDLO O=C(CN1CCOCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000059392886 488287782 /nfs/dbraw/zinc/28/77/82/488287782.db2.gz UONHAGHNICMKSQ-UHFFFAOYSA-N 1 2 362.430 0.614 20 5 FCBDLO COC(=O)CCNC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066865285 488338380 /nfs/dbraw/zinc/33/83/80/488338380.db2.gz UVESKOWHZYWTRK-UHFFFAOYSA-N 1 2 350.375 0.396 20 5 FCBDLO CN(CCCn1cc[nH+]c1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000269159675 488475218 /nfs/dbraw/zinc/47/52/18/488475218.db2.gz OCPSXBPVRSUXJK-UHFFFAOYSA-N 1 2 371.353 0.936 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000271687876 488538314 /nfs/dbraw/zinc/53/83/14/488538314.db2.gz DIHAQPKYCRAMRI-SNVBAGLBSA-N 1 2 353.379 0.346 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000271687876 488538316 /nfs/dbraw/zinc/53/83/16/488538316.db2.gz DIHAQPKYCRAMRI-SNVBAGLBSA-N 1 2 353.379 0.346 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000271687873 488538379 /nfs/dbraw/zinc/53/83/79/488538379.db2.gz DIHAQPKYCRAMRI-JTQLQIEISA-N 1 2 353.379 0.346 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000271687873 488538380 /nfs/dbraw/zinc/53/83/80/488538380.db2.gz DIHAQPKYCRAMRI-JTQLQIEISA-N 1 2 353.379 0.346 20 5 FCBDLO NC(=O)[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000117337335 488550729 /nfs/dbraw/zinc/55/07/29/488550729.db2.gz WKCOAURPPHBMQC-ZDUSSCGKSA-N 1 2 350.331 0.079 20 5 FCBDLO NC(=O)[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000117337335 488550731 /nfs/dbraw/zinc/55/07/31/488550731.db2.gz WKCOAURPPHBMQC-ZDUSSCGKSA-N 1 2 350.331 0.079 20 5 FCBDLO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262455897 488571037 /nfs/dbraw/zinc/57/10/37/488571037.db2.gz WMYJWNAKYISXLL-LBPRGKRZSA-N 1 2 350.375 0.760 20 5 FCBDLO COc1ccc(NC(=O)C[N@@H+](CCCO)CC(OC)OC)c([N+](=O)[O-])c1 ZINC000272774312 488604622 /nfs/dbraw/zinc/60/46/22/488604622.db2.gz VYUPCTUPQBCMEN-UHFFFAOYSA-N 1 2 371.390 0.845 20 5 FCBDLO COc1ccc(NC(=O)C[N@H+](CCCO)CC(OC)OC)c([N+](=O)[O-])c1 ZINC000272774312 488604624 /nfs/dbraw/zinc/60/46/24/488604624.db2.gz VYUPCTUPQBCMEN-UHFFFAOYSA-N 1 2 371.390 0.845 20 5 FCBDLO Cc1ccn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(=O)c1[N+](=O)[O-] ZINC000129591665 488632330 /nfs/dbraw/zinc/63/23/30/488632330.db2.gz WTDDGFKBLRADPO-UHFFFAOYSA-N 1 2 352.391 0.292 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000263982819 488640894 /nfs/dbraw/zinc/64/08/94/488640894.db2.gz GSJCFTWGPKVVCC-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000263982819 488640895 /nfs/dbraw/zinc/64/08/95/488640895.db2.gz GSJCFTWGPKVVCC-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263988767 488641206 /nfs/dbraw/zinc/64/12/06/488641206.db2.gz UOMOZGIRRPWJKM-SNVBAGLBSA-N 1 2 361.358 0.596 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CCCCO)CC2)cc1[N+](=O)[O-] ZINC000263997293 488642326 /nfs/dbraw/zinc/64/23/26/488642326.db2.gz MIUBYJIPDWEARO-UHFFFAOYSA-N 1 2 373.431 0.682 20 5 FCBDLO CC[N@H+](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273333539 488644561 /nfs/dbraw/zinc/64/45/61/488644561.db2.gz UZLUPSVIBIWBMR-UHFFFAOYSA-N 1 2 355.416 0.969 20 5 FCBDLO CC[N@@H+](CC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273333539 488644564 /nfs/dbraw/zinc/64/45/64/488644564.db2.gz UZLUPSVIBIWBMR-UHFFFAOYSA-N 1 2 355.416 0.969 20 5 FCBDLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000273346446 488645447 /nfs/dbraw/zinc/64/54/47/488645447.db2.gz OOXFDNIJMUQJHJ-ZIAGYGMSSA-N 1 2 353.375 0.171 20 5 FCBDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000273346446 488645449 /nfs/dbraw/zinc/64/54/49/488645449.db2.gz OOXFDNIJMUQJHJ-ZIAGYGMSSA-N 1 2 353.375 0.171 20 5 FCBDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)ccc2n1C ZINC000131673554 488647903 /nfs/dbraw/zinc/64/79/03/488647903.db2.gz VEOYOASAWJFLPG-UHFFFAOYSA-N 1 2 371.357 0.741 20 5 FCBDLO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264336262 488665304 /nfs/dbraw/zinc/66/53/04/488665304.db2.gz OSBWAFBBQXWAIN-VXGBXAGGSA-N 1 2 350.375 0.759 20 5 FCBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264554517 488685202 /nfs/dbraw/zinc/68/52/02/488685202.db2.gz YGGFEWGFILARLW-ZDUSSCGKSA-N 1 2 364.402 0.538 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266869518 488739009 /nfs/dbraw/zinc/73/90/09/488739009.db2.gz OZAXFXHSXNAMEP-GFCCVEGCSA-N 1 2 363.418 0.803 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266885032 488739985 /nfs/dbraw/zinc/73/99/85/488739985.db2.gz ZOYSXOBSAWBPAD-GFCCVEGCSA-N 1 2 363.418 0.803 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000154452302 488743560 /nfs/dbraw/zinc/74/35/60/488743560.db2.gz VDNQKGZSYHWCNR-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274946718 488746954 /nfs/dbraw/zinc/74/69/54/488746954.db2.gz OBYADXNGAKIUIG-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274946718 488746956 /nfs/dbraw/zinc/74/69/56/488746956.db2.gz OBYADXNGAKIUIG-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)S1 ZINC000274964240 488748516 /nfs/dbraw/zinc/74/85/16/488748516.db2.gz LMYQDPBUTUDYIY-VIFPVBQESA-N 1 2 351.388 0.945 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000266982800 488750286 /nfs/dbraw/zinc/75/02/86/488750286.db2.gz ZREYQCPEYYUFSO-LLVKDONJSA-N 1 2 367.406 0.980 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000266982800 488750289 /nfs/dbraw/zinc/75/02/89/488750289.db2.gz ZREYQCPEYYUFSO-LLVKDONJSA-N 1 2 367.406 0.980 20 5 FCBDLO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@H+](C)CCO1 ZINC000157297584 488770263 /nfs/dbraw/zinc/77/02/63/488770263.db2.gz TZUZLTWWRNPIES-IAQYHMDHSA-N 1 2 360.374 0.624 20 5 FCBDLO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@@H+](C)CCO1 ZINC000157297584 488770265 /nfs/dbraw/zinc/77/02/65/488770265.db2.gz TZUZLTWWRNPIES-IAQYHMDHSA-N 1 2 360.374 0.624 20 5 FCBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160828440 488793496 /nfs/dbraw/zinc/79/34/96/488793496.db2.gz BZSYUGLXGRSDJQ-UHFFFAOYSA-N 1 2 359.390 0.714 20 5 FCBDLO Cc1nc(N)c(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c[nH+]1 ZINC000570128148 491218686 /nfs/dbraw/zinc/21/86/86/491218686.db2.gz XQTAZNWSVQWXEW-UHFFFAOYSA-N 1 2 354.330 0.786 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000267640832 488808553 /nfs/dbraw/zinc/80/85/53/488808553.db2.gz HGNDPMKCRLYZMY-ZDUSSCGKSA-N 1 2 362.386 0.841 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000163759970 488809005 /nfs/dbraw/zinc/80/90/05/488809005.db2.gz WJNPWYWBQAAHPF-ZIAGYGMSSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000163759970 488809007 /nfs/dbraw/zinc/80/90/07/488809007.db2.gz WJNPWYWBQAAHPF-ZIAGYGMSSA-N 1 2 371.459 0.854 20 5 FCBDLO COCC[NH+]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000280795459 489032275 /nfs/dbraw/zinc/03/22/75/489032275.db2.gz PJDWZHWIAPFFKD-UHFFFAOYSA-N 1 2 351.359 0.786 20 5 FCBDLO Cn1c[nH+]cc1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000291791461 489174540 /nfs/dbraw/zinc/17/45/40/489174540.db2.gz GSIUHVZTEYEMPO-UHFFFAOYSA-N 1 2 372.385 0.996 20 5 FCBDLO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000369583042 489255015 /nfs/dbraw/zinc/25/50/15/489255015.db2.gz RQBPFLUXYNXJBT-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO COC(=O)CNC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000298190559 489301807 /nfs/dbraw/zinc/30/18/07/489301807.db2.gz LUJDYKRBYGONKH-UHFFFAOYSA-N 1 2 361.358 0.868 20 5 FCBDLO COCc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000298385530 489321261 /nfs/dbraw/zinc/32/12/61/489321261.db2.gz LDTLFWZMROVDHE-UHFFFAOYSA-N 1 2 370.387 0.797 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298560728 489337135 /nfs/dbraw/zinc/33/71/35/489337135.db2.gz PIESIRGNELETLE-YGRLFVJLSA-N 1 2 367.358 0.540 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298560728 489337138 /nfs/dbraw/zinc/33/71/38/489337138.db2.gz PIESIRGNELETLE-YGRLFVJLSA-N 1 2 367.358 0.540 20 5 FCBDLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000298639841 489347881 /nfs/dbraw/zinc/34/78/81/489347881.db2.gz VNMFGZMGJYIKQZ-UHFFFAOYSA-N 1 2 361.402 0.017 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298750820 489359802 /nfs/dbraw/zinc/35/98/02/489359802.db2.gz 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CCc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000576939161 491657859 /nfs/dbraw/zinc/65/78/59/491657859.db2.gz SCNMCOIOWDSCJT-ZDUSSCGKSA-N 1 2 356.448 0.681 20 5 FCBDLO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1C[C@H](O)C[NH+]1CCOCC1 ZINC000579109716 491691144 /nfs/dbraw/zinc/69/11/44/491691144.db2.gz WXOOQGPKASCASM-LLVKDONJSA-N 1 2 368.777 0.651 20 5 FCBDLO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000580348437 491727803 /nfs/dbraw/zinc/72/78/03/491727803.db2.gz CEDYTJDINMJGAI-UHFFFAOYSA-N 1 2 355.358 0.924 20 5 FCBDLO CCc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000580427574 491730784 /nfs/dbraw/zinc/73/07/84/491730784.db2.gz DGNMPLIBOLTDHQ-LBPRGKRZSA-N 1 2 357.432 0.844 20 5 FCBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000589195801 491757438 /nfs/dbraw/zinc/75/74/38/491757438.db2.gz MXGRGKCOOLBWSK-ZROIWOOFSA-N 1 2 371.401 0.829 20 5 FCBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](CO)[C@@H](O)C1 ZINC000581699308 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RKTBACYFTTUPFS-SNVBAGLBSA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000546831583 546888981 /nfs/dbraw/zinc/88/89/81/546888981.db2.gz RKTBACYFTTUPFS-SNVBAGLBSA-N 1 2 351.363 0.281 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000593175811 546963828 /nfs/dbraw/zinc/96/38/28/546963828.db2.gz DZXOIUOHJCIUQJ-UHFFFAOYSA-N 1 2 353.379 0.224 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593650114 546985882 /nfs/dbraw/zinc/98/58/82/546985882.db2.gz RGTULYVBKQOKIA-LLVKDONJSA-N 1 2 357.388 0.043 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593650114 546985884 /nfs/dbraw/zinc/98/58/84/546985884.db2.gz RGTULYVBKQOKIA-LLVKDONJSA-N 1 2 357.388 0.043 20 5 FCBDLO Cc1cc(C)c(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593651315 546986252 /nfs/dbraw/zinc/98/62/52/546986252.db2.gz FJOYMQOZEXMYBA-CYBMUJFWSA-N 1 2 355.416 0.651 20 5 FCBDLO Cc1cc(C)c(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593651315 546986255 /nfs/dbraw/zinc/98/62/55/546986255.db2.gz FJOYMQOZEXMYBA-CYBMUJFWSA-N 1 2 355.416 0.651 20 5 FCBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)C(F)(F)F ZINC000594018283 546995232 /nfs/dbraw/zinc/99/52/32/546995232.db2.gz VBCKAUAKUNALCW-LLVKDONJSA-N 1 2 353.297 0.628 20 5 FCBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)C(F)(F)F ZINC000594018283 546995236 /nfs/dbraw/zinc/99/52/36/546995236.db2.gz VBCKAUAKUNALCW-LLVKDONJSA-N 1 2 353.297 0.628 20 5 FCBDLO Cn1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000737603277 598502552 /nfs/dbraw/zinc/50/25/52/598502552.db2.gz XKXVJDDPCCUSTN-UHFFFAOYSA-N 1 2 370.377 0.226 20 5 FCBDLO CCn1nc(C)c(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985426494 665166311 /nfs/dbraw/zinc/16/63/11/665166311.db2.gz QLWPRGWPDLCORA-UKRRQHHQSA-N 1 2 350.423 0.694 20 5 FCBDLO CCn1nc(C)c(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985426494 665166312 /nfs/dbraw/zinc/16/63/12/665166312.db2.gz QLWPRGWPDLCORA-UKRRQHHQSA-N 1 2 350.423 0.694 20 5 FCBDLO CCCn1ncnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985429638 665166620 /nfs/dbraw/zinc/16/66/20/665166620.db2.gz BIRCMLJUEHBJAC-ZIAGYGMSSA-N 1 2 350.423 0.776 20 5 FCBDLO CCCn1ncnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985429638 665166622 /nfs/dbraw/zinc/16/66/22/665166622.db2.gz BIRCMLJUEHBJAC-ZIAGYGMSSA-N 1 2 350.423 0.776 20 5 FCBDLO CCc1nnc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C ZINC000985432157 665166864 /nfs/dbraw/zinc/16/68/64/665166864.db2.gz WSWMTAGQUSHBOS-CHWSQXEVSA-N 1 2 350.423 0.466 20 5 FCBDLO CCc1nnc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C ZINC000985432157 665166866 /nfs/dbraw/zinc/16/68/66/665166866.db2.gz WSWMTAGQUSHBOS-CHWSQXEVSA-N 1 2 350.423 0.466 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCO1 ZINC000731624209 666827269 /nfs/dbraw/zinc/82/72/69/666827269.db2.gz CWLQYMCHFLWSJR-GFCCVEGCSA-N 1 2 351.359 0.623 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCO1 ZINC000731624209 666827274 /nfs/dbraw/zinc/82/72/74/666827274.db2.gz CWLQYMCHFLWSJR-GFCCVEGCSA-N 1 2 351.359 0.623 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000731759832 666838625 /nfs/dbraw/zinc/83/86/25/666838625.db2.gz VHQBQWPSCBCWSC-CYBMUJFWSA-N 1 2 352.391 0.994 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000731759832 666838627 /nfs/dbraw/zinc/83/86/27/666838627.db2.gz VHQBQWPSCBCWSC-CYBMUJFWSA-N 1 2 352.391 0.994 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982251 667214011 /nfs/dbraw/zinc/21/40/11/667214011.db2.gz RTYMSYQKEGPSMP-FZMZJTMJSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982251 667214012 /nfs/dbraw/zinc/21/40/12/667214012.db2.gz RTYMSYQKEGPSMP-FZMZJTMJSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982250 667214326 /nfs/dbraw/zinc/21/43/26/667214326.db2.gz RTYMSYQKEGPSMP-BXUZGUMPSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(F)cc1[N+](=O)[O-] ZINC000919982250 667214328 /nfs/dbraw/zinc/21/43/28/667214328.db2.gz RTYMSYQKEGPSMP-BXUZGUMPSA-N 1 2 374.438 0.955 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000920017275 667219629 /nfs/dbraw/zinc/21/96/29/667219629.db2.gz ATJVKNFDJPWNSA-JSGCOSHPSA-N 1 2 356.448 0.816 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000920017275 667219633 /nfs/dbraw/zinc/21/96/33/667219633.db2.gz ATJVKNFDJPWNSA-JSGCOSHPSA-N 1 2 356.448 0.816 20 5 FCBDLO CCS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000823056053 669316692 /nfs/dbraw/zinc/31/66/92/669316692.db2.gz ZSBJPTMMSGLDAJ-UHFFFAOYSA-N 1 2 352.372 0.945 20 5 FCBDLO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001000673603 676058916 /nfs/dbraw/zinc/05/89/16/676058916.db2.gz HDECWXJCTRRBTQ-HUUCEWRRSA-N 1 2 350.419 0.459 20 5 FCBDLO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CCCC1 ZINC001000673603 676058918 /nfs/dbraw/zinc/05/89/18/676058918.db2.gz HDECWXJCTRRBTQ-HUUCEWRRSA-N 1 2 350.419 0.459 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134317801 673449659 /nfs/dbraw/zinc/44/96/59/673449659.db2.gz HJPWHVANNNMVFV-UHFFFAOYSA-N 1 2 373.406 0.973 20 5 FCBDLO O=C(NCc1nc(C[NH2+]Cc2ccccn2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001087256761 1180332130 /nfs/dbraw/zinc/33/21/30/1180332130.db2.gz JMQLNRNHZOVENL-CHWSQXEVSA-N 1 2 358.358 0.148 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778727 1182825184 /nfs/dbraw/zinc/82/51/84/1182825184.db2.gz WSKZYOWWJANDGE-ZIQFBCGOSA-N 1 2 371.319 0.707 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C(F)(F)F)nc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778727 1182825185 /nfs/dbraw/zinc/82/51/85/1182825185.db2.gz WSKZYOWWJANDGE-ZIQFBCGOSA-N 1 2 371.319 0.707 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cnnn2-c2ccccc2)CC1 ZINC000981137664 1186329882 /nfs/dbraw/zinc/32/98/82/1186329882.db2.gz CKAZARGYUASQAV-IAGOWNOFSA-N 1 2 370.413 0.967 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cnnn2-c2ccccc2)CC1 ZINC000981137664 1186329892 /nfs/dbraw/zinc/32/98/92/1186329892.db2.gz CKAZARGYUASQAV-IAGOWNOFSA-N 1 2 370.413 0.967 20 5 FCBDLO CC(C)n1nnnc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964775 1191038601 /nfs/dbraw/zinc/03/86/01/1191038601.db2.gz ZFEFKDMRSCTXEX-ZIAGYGMSSA-N 1 2 365.438 0.590 20 5 FCBDLO CC(C)n1nnnc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964775 1191038605 /nfs/dbraw/zinc/03/86/05/1191038605.db2.gz ZFEFKDMRSCTXEX-ZIAGYGMSSA-N 1 2 365.438 0.590 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000593699310 1196814791 /nfs/dbraw/zinc/81/47/91/1196814791.db2.gz OUTBFZNIXKZNRQ-SNVBAGLBSA-N 1 2 360.374 0.357 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000593887590 1196837108 /nfs/dbraw/zinc/83/71/08/1196837108.db2.gz WPMZQHKPJCHXNH-UHFFFAOYSA-N 1 2 370.381 0.737 20 5 FCBDLO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccoc3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083252 1198141135 /nfs/dbraw/zinc/14/11/35/1198141135.db2.gz RZCAGDNFRATITD-GWNIPJSYSA-N 1 2 361.358 0.979 20 5 FCBDLO CN(C)C(=O)COCc1nnc2n1CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026370 1199044333 /nfs/dbraw/zinc/04/43/33/1199044333.db2.gz LLJDPEJPKOUTFR-STQMWFEESA-N 1 2 366.422 0.144 20 5 FCBDLO CN(C)C(=O)COCc1nnc2n1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169026370 1199044338 /nfs/dbraw/zinc/04/43/38/1199044338.db2.gz LLJDPEJPKOUTFR-STQMWFEESA-N 1 2 366.422 0.144 20 5 FCBDLO Cn1c[nH+]cc1CCOC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000793252849 1201231550 /nfs/dbraw/zinc/23/15/50/1201231550.db2.gz UAYQTTVKZFEIGF-UHFFFAOYSA-N 1 2 361.358 0.913 20 5 FCBDLO COCC[NH+](CCOC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000747451412 1202872139 /nfs/dbraw/zinc/87/21/39/1202872139.db2.gz OVEUWQQKRBFZBF-UHFFFAOYSA-N 1 2 366.374 0.916 20 5 FCBDLO CC(C)OCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353912 1202889096 /nfs/dbraw/zinc/88/90/96/1202889096.db2.gz IUFBZRIBORQAPZ-HUUCEWRRSA-N 1 2 370.450 0.117 20 5 FCBDLO CC(C)OCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353912 1202889099 /nfs/dbraw/zinc/88/90/99/1202889099.db2.gz IUFBZRIBORQAPZ-HUUCEWRRSA-N 1 2 370.450 0.117 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864840822 1209965505 /nfs/dbraw/zinc/96/55/05/1209965505.db2.gz XXYMOLKSXPVYOA-UHFFFAOYSA-N 1 2 366.393 0.947 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864840822 1209965508 /nfs/dbraw/zinc/96/55/08/1209965508.db2.gz XXYMOLKSXPVYOA-UHFFFAOYSA-N 1 2 366.393 0.947 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)OCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000800078188 1210710525 /nfs/dbraw/zinc/71/05/25/1210710525.db2.gz KVTSODFXDNRFOO-CYBMUJFWSA-N 1 2 365.386 0.897 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)OCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000800078188 1210710529 /nfs/dbraw/zinc/71/05/29/1210710529.db2.gz KVTSODFXDNRFOO-CYBMUJFWSA-N 1 2 365.386 0.897 20 5 FCBDLO Cc1nonc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949091828 1212289397 /nfs/dbraw/zinc/28/93/97/1212289397.db2.gz GPUIJTOLXANEKW-TZMCWYRMSA-N 1 2 365.390 0.237 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000949270774 1212341664 /nfs/dbraw/zinc/34/16/64/1212341664.db2.gz JFBIABDMWJOXGS-HUUCEWRRSA-N 1 2 363.418 0.373 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000779568455 1212737445 /nfs/dbraw/zinc/73/74/45/1212737445.db2.gz VMJJXFYEUCQWKV-GFCCVEGCSA-N 1 2 364.362 0.353 20 5 FCBDLO CC(C)(C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)c1c[nH+]c[nH]1 ZINC001019015304 1214179510 /nfs/dbraw/zinc/17/95/10/1214179510.db2.gz QQXPDDJURWWDIW-VXGBXAGGSA-N 1 2 361.402 0.413 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000963968038 1214880481 /nfs/dbraw/zinc/88/04/81/1214880481.db2.gz QROBFSGRZTUNNJ-KBUPBQIOSA-N 1 2 363.418 0.648 20 5 FCBDLO Cn1nncc1C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244793 1216301097 /nfs/dbraw/zinc/30/10/97/1216301097.db2.gz WBILNZUVOUWWOF-HZPDHXFCSA-N 1 2 358.402 0.729 20 5 FCBDLO Cn1nncc1C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244793 1216301102 /nfs/dbraw/zinc/30/11/02/1216301102.db2.gz WBILNZUVOUWWOF-HZPDHXFCSA-N 1 2 358.402 0.729 20 5 FCBDLO CCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 ZINC001048525236 1218279105 /nfs/dbraw/zinc/27/91/05/1218279105.db2.gz PMWJFMIQNHPFSI-DPZJBDQQSA-N 1 2 362.434 0.822 20 5 FCBDLO CCn1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 ZINC001048525236 1218279109 /nfs/dbraw/zinc/27/91/09/1218279109.db2.gz PMWJFMIQNHPFSI-DPZJBDQQSA-N 1 2 362.434 0.822 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3nc(CC4CC4)no3)C[C@@H]2C1 ZINC001048812698 1218317887 /nfs/dbraw/zinc/31/78/87/1218317887.db2.gz NRMPOFIMOXQWOT-XJFOESAGSA-N 1 2 361.402 0.578 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3nc(CC4CC4)no3)C[C@@H]2C1 ZINC001048812698 1218317893 /nfs/dbraw/zinc/31/78/93/1218317893.db2.gz NRMPOFIMOXQWOT-XJFOESAGSA-N 1 2 361.402 0.578 20 5 FCBDLO O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001053845772 1218893975 /nfs/dbraw/zinc/89/39/75/1218893975.db2.gz WNCLYMVQYDTVLH-XLWJZTARSA-N 1 2 361.402 0.434 20 5 FCBDLO O=C(Cn1cc[nH+]c1)NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001055072392 1218989012 /nfs/dbraw/zinc/98/90/12/1218989012.db2.gz CLGXMCNWMWLIKI-HZPDHXFCSA-N 1 2 371.397 0.693 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000749681503 1219807052 /nfs/dbraw/zinc/80/70/52/1219807052.db2.gz HQLDRROMTRYGKO-UHFFFAOYSA-N 1 2 364.402 0.662 20 5 FCBDLO NC(=O)c1ccc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000750091288 1219853692 /nfs/dbraw/zinc/85/36/92/1219853692.db2.gz IIOPKBQAFLVMLJ-INIZCTEOSA-N 1 2 371.397 0.944 20 5 FCBDLO O=C1NC2(CO1)CC[NH+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000783695942 1221215681 /nfs/dbraw/zinc/21/56/81/1221215681.db2.gz RWMOUURVJWXDST-CYBMUJFWSA-N 1 2 374.353 0.801 20 5 FCBDLO CCOc1cc(N2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)ccc1[N+](=O)[O-] ZINC000799170043 1221304182 /nfs/dbraw/zinc/30/41/82/1221304182.db2.gz SFVLTWPDYNLNHM-CQSZACIVSA-N 1 2 362.386 0.921 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cc([N+](=O)[O-])ccc2N)n1C ZINC001123238254 1222326405 /nfs/dbraw/zinc/32/64/05/1222326405.db2.gz DKOLWVUDRSNMHT-UHFFFAOYSA-N 1 2 361.406 0.741 20 5 FCBDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000842964514 1222854965 /nfs/dbraw/zinc/85/49/65/1222854965.db2.gz HAMMGUAELVCSAY-GXTWGEPZSA-N 1 2 370.406 0.769 20 5 FCBDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000842964514 1222854966 /nfs/dbraw/zinc/85/49/66/1222854966.db2.gz HAMMGUAELVCSAY-GXTWGEPZSA-N 1 2 370.406 0.769 20 5 FCBDLO O=C(NCCC[NH2+]Cc1nnc(Cc2ccccc2)o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774843 1223081762 /nfs/dbraw/zinc/08/17/62/1223081762.db2.gz CRJOXTAAYIFXEW-ZIAGYGMSSA-N 1 2 359.386 0.922 20 5 FCBDLO COC(=O)c1cnc(N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001160692125 1223168677 /nfs/dbraw/zinc/16/86/77/1223168677.db2.gz CTTYUVXQEAJWLT-NSHDSACASA-N 1 2 363.330 0.706 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)n1 ZINC001160700777 1223169291 /nfs/dbraw/zinc/16/92/91/1223169291.db2.gz POGROADLKOIFJM-NSHDSACASA-N 1 2 363.330 0.706 20 5 FCBDLO O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001063553357 1254358196 /nfs/dbraw/zinc/35/81/96/1254358196.db2.gz KVRZUVMWGKSSCT-BXUZGUMPSA-N 1 2 357.370 0.997 20 5 FCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001321689249 1264034939 /nfs/dbraw/zinc/03/49/39/1264034939.db2.gz JOILRADUPIHFHY-CYBMUJFWSA-N 1 2 359.386 0.997 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001321857828 1264082314 /nfs/dbraw/zinc/08/23/14/1264082314.db2.gz SDJRTOOCCIGPOI-LBPRGKRZSA-N 1 2 373.369 0.586 20 5 FCBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001324270360 1264608304 /nfs/dbraw/zinc/60/83/04/1264608304.db2.gz MIOBPGODCVCESR-CYBMUJFWSA-N 1 2 359.386 0.971 20 5 FCBDLO 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CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000187964581 209221658 /nfs/dbraw/zinc/22/16/58/209221658.db2.gz JNMKKJQJDSSCBU-LBPRGKRZSA-N 1 2 357.432 0.844 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000187962574 209220714 /nfs/dbraw/zinc/22/07/14/209220714.db2.gz RAMZZQVXCXDAKT-JTQLQIEISA-N 1 2 363.823 0.935 20 5 FCBDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000276452218 212235651 /nfs/dbraw/zinc/23/56/51/212235651.db2.gz PRHBQTOKLNUKAW-UHFFFAOYSA-N 1 2 374.401 0.100 20 5 FCBDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000276452218 212235655 /nfs/dbraw/zinc/23/56/55/212235655.db2.gz PRHBQTOKLNUKAW-UHFFFAOYSA-N 1 2 374.401 0.100 20 5 FCBDLO Cc1c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000186827450 209198243 /nfs/dbraw/zinc/19/82/43/209198243.db2.gz PVINWLCNJOYAJQ-SNVBAGLBSA-N 1 2 352.347 0.950 20 5 FCBDLO COCCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276271858 212201421 /nfs/dbraw/zinc/20/14/21/212201421.db2.gz CYGPFHSIQKEQSG-UHFFFAOYSA-N 1 2 354.382 0.614 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275894882 212113946 /nfs/dbraw/zinc/11/39/46/212113946.db2.gz OOTAGGCBYNWSRF-MNOVXSKESA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000275894882 212113950 /nfs/dbraw/zinc/11/39/50/212113950.db2.gz OOTAGGCBYNWSRF-MNOVXSKESA-N 1 2 361.395 0.810 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000275874575 212108346 /nfs/dbraw/zinc/10/83/46/212108346.db2.gz KVZDAVKDBXVWDN-RYUDHWBXSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000275874575 212108349 /nfs/dbraw/zinc/10/83/49/212108349.db2.gz KVZDAVKDBXVWDN-RYUDHWBXSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1OC ZINC000275511366 212040115 /nfs/dbraw/zinc/04/01/15/212040115.db2.gz ZVYDXCZVAPLUOO-LLVKDONJSA-N 1 2 353.375 0.751 20 5 FCBDLO COc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1OC ZINC000275164668 211973684 /nfs/dbraw/zinc/97/36/84/211973684.db2.gz ZVYDXCZVAPLUOO-NSHDSACASA-N 1 2 353.375 0.751 20 5 FCBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182445649 209130695 /nfs/dbraw/zinc/13/06/95/209130695.db2.gz BQAYFPXPYLGZHR-UHFFFAOYSA-N 1 2 357.432 0.900 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376055123 217351181 /nfs/dbraw/zinc/35/11/81/217351181.db2.gz PWLBXPTYVVADQA-UHFFFAOYSA-N 1 2 352.395 0.470 20 5 FCBDLO Cc1cc(OCC(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1[N+](=O)[O-] ZINC000435704426 248015008 /nfs/dbraw/zinc/01/50/08/248015008.db2.gz HJHXYPOWPUQASX-UHFFFAOYSA-N 1 2 374.401 0.718 20 5 FCBDLO Cc1c(CC(=O)N2CC[NH+](CCn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000438831130 248098395 /nfs/dbraw/zinc/09/83/95/248098395.db2.gz QLTCPAQBWZVGKR-UHFFFAOYSA-N 1 2 358.402 0.882 20 5 FCBDLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000441224058 248244194 /nfs/dbraw/zinc/24/41/94/248244194.db2.gz LBELNAIRPOVHKR-HNNXBMFYSA-N 1 2 351.359 0.779 20 5 FCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000453936167 249390240 /nfs/dbraw/zinc/39/02/40/249390240.db2.gz DQEPPCIHAYODSV-OKILXGFUSA-N 1 2 366.349 0.652 20 5 FCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000453936167 249390244 /nfs/dbraw/zinc/39/02/44/249390244.db2.gz DQEPPCIHAYODSV-OKILXGFUSA-N 1 2 366.349 0.652 20 5 FCBDLO COC(=O)C1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000271321024 211378311 /nfs/dbraw/zinc/37/83/11/211378311.db2.gz YSRPFCAWCXSRPU-UHFFFAOYSA-N 1 2 374.353 0.921 20 5 FCBDLO COCCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1=O ZINC000271114707 211339216 /nfs/dbraw/zinc/33/92/16/211339216.db2.gz DOVLYQOCEWPKKF-UHFFFAOYSA-N 1 2 373.369 0.711 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143790 250028807 /nfs/dbraw/zinc/02/88/07/250028807.db2.gz XPGSONIPZNEPBM-CQSZACIVSA-N 1 2 356.354 0.891 20 5 FCBDLO CCOC1CC(CNC(=O)c2ccc([N+](=O)[O-])n2C)([NH+]2CCOCC2)C1 ZINC000470213291 250030955 /nfs/dbraw/zinc/03/09/55/250030955.db2.gz GIJVZERWHCKNGV-UHFFFAOYSA-N 1 2 366.418 0.933 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000470628364 250052904 /nfs/dbraw/zinc/05/29/04/250052904.db2.gz SZAJBVWBIPHYDF-UHFFFAOYSA-N 1 2 363.418 0.728 20 5 FCBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481808825 250363522 /nfs/dbraw/zinc/36/35/22/250363522.db2.gz DOONYKNNNVWTOK-ZDUSSCGKSA-N 1 2 373.417 0.664 20 5 FCBDLO COc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc([N+](=O)[O-])c1OC ZINC000269577497 211013900 /nfs/dbraw/zinc/01/39/00/211013900.db2.gz WVPUTQYDVWGGLC-GFCCVEGCSA-N 1 2 350.375 0.342 20 5 FCBDLO CNS(=O)(=O)c1ccc(N[C@@H](C)C[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078543382 208083248 /nfs/dbraw/zinc/08/32/48/208083248.db2.gz CMEQCJUACFADRN-LBPRGKRZSA-N 1 2 371.463 0.551 20 5 FCBDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000088594066 208117035 /nfs/dbraw/zinc/11/70/35/208117035.db2.gz YKPUMHCTPWPYTE-CQSZACIVSA-N 1 2 350.423 0.420 20 5 FCBDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000088594066 208117041 /nfs/dbraw/zinc/11/70/41/208117041.db2.gz YKPUMHCTPWPYTE-CQSZACIVSA-N 1 2 350.423 0.420 20 5 FCBDLO COC(=O)[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413501609 533491617 /nfs/dbraw/zinc/49/16/17/533491617.db2.gz PODCVFDDXQREIE-NSHDSACASA-N 1 2 371.415 0.539 20 5 FCBDLO COC(=O)[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413501609 533491621 /nfs/dbraw/zinc/49/16/21/533491621.db2.gz PODCVFDDXQREIE-NSHDSACASA-N 1 2 371.415 0.539 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000278467762 488877144 /nfs/dbraw/zinc/87/71/44/488877144.db2.gz SUXYXVWZFGUCKW-SNVBAGLBSA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000278467762 488877145 /nfs/dbraw/zinc/87/71/45/488877145.db2.gz SUXYXVWZFGUCKW-SNVBAGLBSA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000278467762 488877147 /nfs/dbraw/zinc/87/71/47/488877147.db2.gz SUXYXVWZFGUCKW-SNVBAGLBSA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000278467762 488877149 /nfs/dbraw/zinc/87/71/49/488877149.db2.gz SUXYXVWZFGUCKW-SNVBAGLBSA-N 1 2 353.379 0.590 20 5 FCBDLO C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363791050 488885310 /nfs/dbraw/zinc/88/53/10/488885310.db2.gz BZYSMMWOCSQNMA-LLVKDONJSA-N 1 2 352.366 0.857 20 5 FCBDLO C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363791050 488885312 /nfs/dbraw/zinc/88/53/12/488885312.db2.gz BZYSMMWOCSQNMA-LLVKDONJSA-N 1 2 352.366 0.857 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000279252517 488927859 /nfs/dbraw/zinc/92/78/59/488927859.db2.gz HIHXEXWDNRLFMA-ZDUSSCGKSA-N 1 2 374.401 0.968 20 5 FCBDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000021521490 487616052 /nfs/dbraw/zinc/61/60/52/487616052.db2.gz RLHNBQHTUAIJER-UHFFFAOYSA-N 1 2 359.342 0.857 20 5 FCBDLO CCCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026490062 487682884 /nfs/dbraw/zinc/68/28/84/487682884.db2.gz XZASLURFGXUOGO-UHFFFAOYSA-N 1 2 364.406 0.738 20 5 FCBDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026594589 487683283 /nfs/dbraw/zinc/68/32/83/487683283.db2.gz FLQKAWIIGXVOCE-LLVKDONJSA-N 1 2 362.390 0.489 20 5 FCBDLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000030968936 487751422 /nfs/dbraw/zinc/75/14/22/487751422.db2.gz JUQYIVRMWYHHPL-AWEZNQCLSA-N 1 2 352.391 0.634 20 5 FCBDLO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000047639828 488040151 /nfs/dbraw/zinc/04/01/51/488040151.db2.gz GVVSTGZANZGUTA-OLZOCXBDSA-N 1 2 364.402 0.550 20 5 FCBDLO CC(C)NC(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000048217064 488063425 /nfs/dbraw/zinc/06/34/25/488063425.db2.gz FBZSRCAXTWUXHU-UHFFFAOYSA-N 1 2 363.418 0.676 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051120956 488122258 /nfs/dbraw/zinc/12/22/58/488122258.db2.gz PFUIBKKLAPNRHN-UHFFFAOYSA-N 1 2 350.419 0.783 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000051824298 488147537 /nfs/dbraw/zinc/14/75/37/488147537.db2.gz KNIOAEADRZEBJD-LBPRGKRZSA-N 1 2 365.415 0.672 20 5 FCBDLO CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000052610625 488174065 /nfs/dbraw/zinc/17/40/65/488174065.db2.gz RYAFIAXDVXIJQP-UHFFFAOYSA-N 1 2 373.417 0.504 20 5 FCBDLO CNC(=O)c1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000053552694 488204527 /nfs/dbraw/zinc/20/45/27/488204527.db2.gz AWBIMWAKXAESRP-UHFFFAOYSA-N 1 2 361.402 0.355 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000065776378 488321059 /nfs/dbraw/zinc/32/10/59/488321059.db2.gz YSQZGIVAVVNDTP-UHFFFAOYSA-N 1 2 360.374 0.729 20 5 FCBDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378292 488349382 /nfs/dbraw/zinc/34/93/82/488349382.db2.gz PSAOKNXYQQFRSC-OAHLLOKOSA-N 1 2 364.402 0.785 20 5 FCBDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378292 488349385 /nfs/dbraw/zinc/34/93/85/488349385.db2.gz PSAOKNXYQQFRSC-OAHLLOKOSA-N 1 2 364.402 0.785 20 5 FCBDLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000183069621 488391217 /nfs/dbraw/zinc/39/12/17/488391217.db2.gz LXICYIBQYJMNBU-JSGCOSHPSA-N 1 2 369.393 0.989 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000077616131 488415892 /nfs/dbraw/zinc/41/58/92/488415892.db2.gz YTYLQRNENGEJQB-CYBMUJFWSA-N 1 2 356.448 0.757 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000077674580 488416468 /nfs/dbraw/zinc/41/64/68/488416468.db2.gz YDEZETSFSJGYOH-UHFFFAOYSA-N 1 2 360.374 0.410 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000246214334 488470898 /nfs/dbraw/zinc/47/08/98/488470898.db2.gz ODLUIXXTFBCVIR-STQMWFEESA-N 1 2 358.420 0.459 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000246214334 488470900 /nfs/dbraw/zinc/47/09/00/488470900.db2.gz ODLUIXXTFBCVIR-STQMWFEESA-N 1 2 358.420 0.459 20 5 FCBDLO CC(C)c1n[nH]c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269462241 488505616 /nfs/dbraw/zinc/50/56/16/488505616.db2.gz HTBTXNXKZYGOIG-NSHDSACASA-N 1 2 355.395 0.206 20 5 FCBDLO CC(C)c1[nH]nc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269462241 488505618 /nfs/dbraw/zinc/50/56/18/488505618.db2.gz HTBTXNXKZYGOIG-NSHDSACASA-N 1 2 355.395 0.206 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249239522 488507792 /nfs/dbraw/zinc/50/77/92/488507792.db2.gz WLTQRDCRVKSFJW-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249239522 488507793 /nfs/dbraw/zinc/50/77/93/488507793.db2.gz WLTQRDCRVKSFJW-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249190728 488507974 /nfs/dbraw/zinc/50/79/74/488507974.db2.gz PENVFTJLGBTEAX-KBPBESRZSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249190728 488507975 /nfs/dbraw/zinc/50/79/75/488507975.db2.gz PENVFTJLGBTEAX-KBPBESRZSA-N 1 2 371.459 0.854 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000271705196 488540250 /nfs/dbraw/zinc/54/02/50/488540250.db2.gz MMFZAWCEKLRVOT-GFCCVEGCSA-N 1 2 364.402 0.987 20 5 FCBDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000263702598 488620251 /nfs/dbraw/zinc/62/02/51/488620251.db2.gz KYBTXAYYTIGJPB-UHFFFAOYSA-N 1 2 350.375 0.760 20 5 FCBDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000263702598 488620252 /nfs/dbraw/zinc/62/02/52/488620252.db2.gz KYBTXAYYTIGJPB-UHFFFAOYSA-N 1 2 350.375 0.760 20 5 FCBDLO Cc1nn(CCC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000263719981 488621577 /nfs/dbraw/zinc/62/15/77/488621577.db2.gz FOOOPGVJSIRDHP-GFCCVEGCSA-N 1 2 352.439 0.550 20 5 FCBDLO CNS(=O)(=O)c1ccc(N(C)CC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000263988772 488641326 /nfs/dbraw/zinc/64/13/26/488641326.db2.gz BUTSSGGUPHNIIL-UHFFFAOYSA-N 1 2 358.420 0.271 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263992584 488641804 /nfs/dbraw/zinc/64/18/04/488641804.db2.gz VZQYWTQFFQHCAU-JTQLQIEISA-N 1 2 361.358 0.596 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000264642262 488693554 /nfs/dbraw/zinc/69/35/54/488693554.db2.gz YCJWGLHQTVLCME-CABCVRRESA-N 1 2 370.427 0.986 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000264642262 488693556 /nfs/dbraw/zinc/69/35/56/488693556.db2.gz YCJWGLHQTVLCME-CABCVRRESA-N 1 2 370.427 0.986 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264732985 488704845 /nfs/dbraw/zinc/70/48/45/488704845.db2.gz IDQWITZRFHGDKN-LBPRGKRZSA-N 1 2 358.420 0.128 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264732985 488704847 /nfs/dbraw/zinc/70/48/47/488704847.db2.gz IDQWITZRFHGDKN-LBPRGKRZSA-N 1 2 358.420 0.128 20 5 FCBDLO O=c1nc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH][nH]1 ZINC000274847026 488737646 /nfs/dbraw/zinc/73/76/46/488737646.db2.gz PZVGSHNATDJLGJ-UHFFFAOYSA-N 1 2 358.362 0.595 20 5 FCBDLO O=c1nc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH][nH]1 ZINC000274847026 488737649 /nfs/dbraw/zinc/73/76/49/488737649.db2.gz PZVGSHNATDJLGJ-UHFFFAOYSA-N 1 2 358.362 0.595 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000266923764 488744379 /nfs/dbraw/zinc/74/43/79/488744379.db2.gz JJWSYVGHHUEHMK-SNVBAGLBSA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000266923764 488744380 /nfs/dbraw/zinc/74/43/80/488744380.db2.gz JJWSYVGHHUEHMK-SNVBAGLBSA-N 1 2 353.379 0.590 20 5 FCBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000266940024 488746246 /nfs/dbraw/zinc/74/62/46/488746246.db2.gz PNMNEQDWKCNCRG-SNVBAGLBSA-N 1 2 353.379 0.346 20 5 FCBDLO COCC[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000160329209 488790261 /nfs/dbraw/zinc/79/02/61/488790261.db2.gz VBWKXYDOKXHJGA-UHFFFAOYSA-N 1 2 357.432 0.731 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000160369440 488790874 /nfs/dbraw/zinc/79/08/74/488790874.db2.gz OYRABUHYFFRAIN-LLVKDONJSA-N 1 2 361.395 0.981 20 5 FCBDLO O=C(Cc1noc(-c2ccccc2[N+](=O)[O-])n1)NCC[NH+]1CCOCC1 ZINC000277931801 488793448 /nfs/dbraw/zinc/79/34/48/488793448.db2.gz QNHBOODWAPGEER-UHFFFAOYSA-N 1 2 361.358 0.636 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000172797744 488838439 /nfs/dbraw/zinc/83/84/39/488838439.db2.gz PMXPMPUBLZTYOU-INIZCTEOSA-N 1 2 369.381 0.852 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000172797744 488838442 /nfs/dbraw/zinc/83/84/42/488838442.db2.gz PMXPMPUBLZTYOU-INIZCTEOSA-N 1 2 369.381 0.852 20 5 FCBDLO O=C(Cc1ccccc1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174731884 488850801 /nfs/dbraw/zinc/85/08/01/488850801.db2.gz JLUYTNSIQUKSGO-QGZVFWFLSA-N 1 2 373.413 0.539 20 5 FCBDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203815 488857714 /nfs/dbraw/zinc/85/77/14/488857714.db2.gz CHLUFGAKUHLCAE-HNNXBMFYSA-N 1 2 364.450 0.810 20 5 FCBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176203815 488857715 /nfs/dbraw/zinc/85/77/15/488857715.db2.gz CHLUFGAKUHLCAE-HNNXBMFYSA-N 1 2 364.450 0.810 20 5 FCBDLO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000282351781 489156775 /nfs/dbraw/zinc/15/67/75/489156775.db2.gz FFRZVRLDZIMINS-UHFFFAOYSA-N 1 2 354.338 0.117 20 5 FCBDLO NC(=O)c1ccnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000555121103 491239299 /nfs/dbraw/zinc/23/92/99/491239299.db2.gz RWAFKMBQSMDTSW-OAHLLOKOSA-N 1 2 367.431 0.709 20 5 FCBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285504892 489319352 /nfs/dbraw/zinc/31/93/52/489319352.db2.gz NLMVVFASUJHSBA-GFCCVEGCSA-N 1 2 359.390 0.653 20 5 FCBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000370612623 489383113 /nfs/dbraw/zinc/38/31/13/489383113.db2.gz OORSYSUPESEIBO-ZDUSSCGKSA-N 1 2 359.386 0.971 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298924876 489383260 /nfs/dbraw/zinc/38/32/60/489383260.db2.gz FFULUWQXUKCDPC-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298924876 489383263 /nfs/dbraw/zinc/38/32/63/489383263.db2.gz FFULUWQXUKCDPC-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286630186 489411496 /nfs/dbraw/zinc/41/14/96/489411496.db2.gz CSULHWOFHAUAGX-GXTWGEPZSA-N 1 2 351.407 0.811 20 5 FCBDLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000286745331 489424070 /nfs/dbraw/zinc/42/40/70/489424070.db2.gz GLSAPSCENXEZRK-UHFFFAOYSA-N 1 2 372.385 0.293 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000287120446 489462660 /nfs/dbraw/zinc/46/26/60/489462660.db2.gz QKGBERGVIWGNDB-CHWSQXEVSA-N 1 2 352.395 0.296 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487577 489470890 /nfs/dbraw/zinc/47/08/90/489470890.db2.gz HKHYAHFJJGSRCB-VXGBXAGGSA-N 1 2 370.431 0.854 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487577 489470891 /nfs/dbraw/zinc/47/08/91/489470891.db2.gz HKHYAHFJJGSRCB-VXGBXAGGSA-N 1 2 370.431 0.854 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451210036 489492646 /nfs/dbraw/zinc/49/26/46/489492646.db2.gz RLXQFEONKZILOI-GJZGRUSLSA-N 1 2 374.353 0.919 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000372154984 489552877 /nfs/dbraw/zinc/55/28/77/489552877.db2.gz CQTYAQIICPHVRZ-CYBMUJFWSA-N 1 2 368.415 0.107 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000372154984 489552879 /nfs/dbraw/zinc/55/28/79/489552879.db2.gz CQTYAQIICPHVRZ-CYBMUJFWSA-N 1 2 368.415 0.107 20 5 FCBDLO CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])c(CO)c1)[NH+]1CCOCC1 ZINC000428070148 489636508 /nfs/dbraw/zinc/63/65/08/489636508.db2.gz NKZDARXAHAFVBS-UHFFFAOYSA-N 1 2 367.402 0.693 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428343522 489645281 /nfs/dbraw/zinc/64/52/81/489645281.db2.gz BXVWLVAGEYZRDU-GFCCVEGCSA-N 1 2 373.369 0.661 20 5 FCBDLO [NH3+]CC(F)(F)CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000418026594 489676137 /nfs/dbraw/zinc/67/61/37/489676137.db2.gz WFXATEIGHJCNQX-UHFFFAOYSA-N 1 2 366.346 0.262 20 5 FCBDLO Cc1ccc([C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[NH+]2CCOCC2)cc1 ZINC000490112792 489747819 /nfs/dbraw/zinc/74/78/19/489747819.db2.gz PFUVZOPGNKRQLX-OAHLLOKOSA-N 1 2 374.401 0.684 20 5 FCBDLO COc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000476276831 489878141 /nfs/dbraw/zinc/87/81/41/489878141.db2.gz YIJZGNLMKOUJNR-GFCCVEGCSA-N 1 2 353.375 0.369 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477117851 489944850 /nfs/dbraw/zinc/94/48/50/489944850.db2.gz XHNBXIWNDNAMJY-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477117851 489944855 /nfs/dbraw/zinc/94/48/55/489944855.db2.gz XHNBXIWNDNAMJY-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO O=C1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1cccc(F)c1 ZINC000462457451 489976450 /nfs/dbraw/zinc/97/64/50/489976450.db2.gz ZZFTWQSZPYGTDN-OAHLLOKOSA-N 1 2 363.349 0.640 20 5 FCBDLO O=C1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1cccc(F)c1 ZINC000462457451 489976458 /nfs/dbraw/zinc/97/64/58/489976458.db2.gz ZZFTWQSZPYGTDN-OAHLLOKOSA-N 1 2 363.349 0.640 20 5 FCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477796064 489991113 /nfs/dbraw/zinc/99/11/13/489991113.db2.gz WOVJXEMULAKFFP-UHFFFAOYSA-N 1 2 372.385 0.332 20 5 FCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000477796064 489991117 /nfs/dbraw/zinc/99/11/17/489991117.db2.gz WOVJXEMULAKFFP-UHFFFAOYSA-N 1 2 372.385 0.332 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000463479809 490019925 /nfs/dbraw/zinc/01/99/25/490019925.db2.gz TXZHHYYBXZDDDF-UHFFFAOYSA-N 1 2 354.382 0.996 20 5 FCBDLO CCN(C)C(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421027316 490043409 /nfs/dbraw/zinc/04/34/09/490043409.db2.gz SZZAIJRCRHKRCV-UHFFFAOYSA-N 1 2 358.420 0.283 20 5 FCBDLO CCN(C)C(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421027316 490043414 /nfs/dbraw/zinc/04/34/14/490043414.db2.gz SZZAIJRCRHKRCV-UHFFFAOYSA-N 1 2 358.420 0.283 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465031742 490076185 /nfs/dbraw/zinc/07/61/85/490076185.db2.gz KODRIUYJEORXBF-LBPRGKRZSA-N 1 2 365.386 0.745 20 5 FCBDLO CN1C(=O)NC2(CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)C1=O ZINC000444663423 490103424 /nfs/dbraw/zinc/10/34/24/490103424.db2.gz LDAJBZQMLCDUEF-UHFFFAOYSA-N 1 2 358.358 0.987 20 5 FCBDLO Cc1[nH+]c[nH]c1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000480014279 490150145 /nfs/dbraw/zinc/15/01/45/490150145.db2.gz OWKNPVCQSJCPQU-UHFFFAOYSA-N 1 2 367.387 0.563 20 5 FCBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000571420775 491306887 /nfs/dbraw/zinc/30/68/87/491306887.db2.gz DXDBKBUXNRUQQQ-KRWDZBQOSA-N 1 2 367.402 0.807 20 5 FCBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000509184854 490400119 /nfs/dbraw/zinc/40/01/19/490400119.db2.gz NDGQCNAEHBOPIO-UHFFFAOYSA-N 1 2 366.422 0.411 20 5 FCBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000509184854 490400126 /nfs/dbraw/zinc/40/01/26/490400126.db2.gz NDGQCNAEHBOPIO-UHFFFAOYSA-N 1 2 366.422 0.411 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000523093424 490439760 /nfs/dbraw/zinc/43/97/60/490439760.db2.gz FYHDTKQREIBGAL-GFCCVEGCSA-N 1 2 353.375 0.819 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000523093424 490439763 /nfs/dbraw/zinc/43/97/63/490439763.db2.gz FYHDTKQREIBGAL-GFCCVEGCSA-N 1 2 353.375 0.819 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000523093425 490440658 /nfs/dbraw/zinc/44/06/58/490440658.db2.gz FYHDTKQREIBGAL-LBPRGKRZSA-N 1 2 353.375 0.819 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000523093425 490440665 /nfs/dbraw/zinc/44/06/65/490440665.db2.gz FYHDTKQREIBGAL-LBPRGKRZSA-N 1 2 353.375 0.819 20 5 FCBDLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000450118987 490445221 /nfs/dbraw/zinc/44/52/21/490445221.db2.gz WQUKOANOVUYMJD-FZMZJTMJSA-N 1 2 359.342 0.543 20 5 FCBDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000450118988 490445325 /nfs/dbraw/zinc/44/53/25/490445325.db2.gz WQUKOANOVUYMJD-RISCZKNCSA-N 1 2 359.342 0.543 20 5 FCBDLO COC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000450143550 490447032 /nfs/dbraw/zinc/44/70/32/490447032.db2.gz FNJUUBJVIWUIGF-INIZCTEOSA-N 1 2 360.326 0.842 20 5 FCBDLO C[C@H](O)CC[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000450221382 490451026 /nfs/dbraw/zinc/45/10/26/490451026.db2.gz RJIKOHKCTITPTK-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO CC(C)Oc1nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000571777127 491328188 /nfs/dbraw/zinc/32/81/88/491328188.db2.gz SAATVDBPGKNPJA-CYBMUJFWSA-N 1 2 354.407 0.906 20 5 FCBDLO CC1(C)C[N@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000523462017 490466493 /nfs/dbraw/zinc/46/64/93/490466493.db2.gz NCVNQVUDQBNDHJ-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)C[N@@H+](CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCO1 ZINC000523462017 490466496 /nfs/dbraw/zinc/46/64/96/490466496.db2.gz NCVNQVUDQBNDHJ-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000523733210 490491436 /nfs/dbraw/zinc/49/14/36/490491436.db2.gz DRQDXPXSVGFGNO-LLVKDONJSA-N 1 2 358.420 0.636 20 5 FCBDLO CNS(=O)(=O)c1ccc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000523733210 490491440 /nfs/dbraw/zinc/49/14/40/490491440.db2.gz DRQDXPXSVGFGNO-LLVKDONJSA-N 1 2 358.420 0.636 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000501117469 490579853 /nfs/dbraw/zinc/57/98/53/490579853.db2.gz BAADXZYEQWTEMF-UHFFFAOYSA-N 1 2 372.385 0.385 20 5 FCBDLO CC[C@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000485999148 490580425 /nfs/dbraw/zinc/58/04/25/490580425.db2.gz BFXLKMCXEAXYGE-NSHDSACASA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000485999148 490580432 /nfs/dbraw/zinc/58/04/32/490580432.db2.gz BFXLKMCXEAXYGE-NSHDSACASA-N 1 2 358.420 0.765 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000525184556 490582351 /nfs/dbraw/zinc/58/23/51/490582351.db2.gz VVPPZARMVWXGCZ-GFCCVEGCSA-N 1 2 357.436 0.152 20 5 FCBDLO CC[C@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000486029420 490585431 /nfs/dbraw/zinc/58/54/31/490585431.db2.gz BBRXKLCAEHWQGD-NSHDSACASA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000486029420 490585434 /nfs/dbraw/zinc/58/54/34/490585434.db2.gz BBRXKLCAEHWQGD-NSHDSACASA-N 1 2 358.420 0.765 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000537020612 490637967 /nfs/dbraw/zinc/63/79/67/490637967.db2.gz FLTAEMOMFJHNNG-LLVKDONJSA-N 1 2 372.403 0.248 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C1 ZINC000537020612 490637971 /nfs/dbraw/zinc/63/79/71/490637971.db2.gz FLTAEMOMFJHNNG-LLVKDONJSA-N 1 2 372.403 0.248 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000556989331 491346478 /nfs/dbraw/zinc/34/64/78/491346478.db2.gz QIJXLQGQRHTOHD-ZDUSSCGKSA-N 1 2 365.386 0.975 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000556989331 491346480 /nfs/dbraw/zinc/34/64/80/491346480.db2.gz QIJXLQGQRHTOHD-ZDUSSCGKSA-N 1 2 365.386 0.975 20 5 FCBDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000501939957 490657083 /nfs/dbraw/zinc/65/70/83/490657083.db2.gz VSXPZHCRLOESBJ-LLVKDONJSA-N 1 2 356.810 0.866 20 5 FCBDLO C[N@H+](CC(N)=O)C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000501939957 490657089 /nfs/dbraw/zinc/65/70/89/490657089.db2.gz VSXPZHCRLOESBJ-LLVKDONJSA-N 1 2 356.810 0.866 20 5 FCBDLO O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000512546668 490688021 /nfs/dbraw/zinc/68/80/21/490688021.db2.gz XBXFEAIRWKWUTC-UHFFFAOYSA-N 1 2 370.793 0.426 20 5 FCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCCn1cc[nH+]c1 ZINC000513377661 490726522 /nfs/dbraw/zinc/72/65/22/490726522.db2.gz MGCHCHSWUUWAJR-UHFFFAOYSA-N 1 2 360.374 0.797 20 5 FCBDLO Cn1c(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)ccc1[N+](=O)[O-] ZINC000538424186 490733625 /nfs/dbraw/zinc/73/36/25/490733625.db2.gz CIEKWCBFCJSPII-UHFFFAOYSA-N 1 2 372.385 0.968 20 5 FCBDLO Cc1c(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000503281626 490749159 /nfs/dbraw/zinc/74/91/59/490749159.db2.gz MHMWCNLFADESLN-UHFFFAOYSA-N 1 2 372.385 0.909 20 5 FCBDLO COC(=O)c1cc(C)nc(NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000515319512 490818534 /nfs/dbraw/zinc/81/85/34/490818534.db2.gz HBOROTYDLYSRCR-MRXNPFEDSA-N 1 2 368.390 0.580 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000515357635 490821895 /nfs/dbraw/zinc/82/18/95/490821895.db2.gz FHFIEUHTNJXVBQ-UHFFFAOYSA-N 1 2 370.373 0.572 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000541819811 490873062 /nfs/dbraw/zinc/87/30/62/490873062.db2.gz GMFJMHYOUFWYBI-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000541819811 490873064 /nfs/dbraw/zinc/87/30/64/490873064.db2.gz GMFJMHYOUFWYBI-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000530566844 490912943 /nfs/dbraw/zinc/91/29/43/490912943.db2.gz NPZJCPMCRLFTBB-UHFFFAOYSA-N 1 2 358.420 0.721 20 5 FCBDLO CNc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000530918966 490932270 /nfs/dbraw/zinc/93/22/70/490932270.db2.gz AWGZRSOYQAVGJS-UHFFFAOYSA-N 1 2 359.390 0.686 20 5 FCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000544812245 490982230 /nfs/dbraw/zinc/98/22/30/490982230.db2.gz HNEWNEUVGJDACT-ZDUSSCGKSA-N 1 2 365.390 0.135 20 5 FCBDLO O=C(Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1)NCC[NH+]1CCOCC1 ZINC000562474599 491168448 /nfs/dbraw/zinc/16/84/48/491168448.db2.gz AUVCUKBRLKHTMA-UHFFFAOYSA-N 1 2 362.346 0.031 20 5 FCBDLO O=C(C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH+](C2CC2)CC1 ZINC000562694839 491181845 /nfs/dbraw/zinc/18/18/45/491181845.db2.gz HYXDYQJNAMIYJJ-UHFFFAOYSA-N 1 2 358.398 0.786 20 5 FCBDLO CCS(=O)(=O)N1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000561899912 491638894 /nfs/dbraw/zinc/63/88/94/491638894.db2.gz CYQHOGDJPSTLHZ-GFCCVEGCSA-N 1 2 358.420 0.112 20 5 FCBDLO CCS(=O)(=O)N1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000561899912 491638896 /nfs/dbraw/zinc/63/88/96/491638896.db2.gz CYQHOGDJPSTLHZ-GFCCVEGCSA-N 1 2 358.420 0.112 20 5 FCBDLO C[C@@H]1C[N@@H+](CCN(C)c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)O1 ZINC000576896167 491654855 /nfs/dbraw/zinc/65/48/55/491654855.db2.gz PSYTWNAEHJLKRX-TXEJJXNPSA-N 1 2 372.447 0.788 20 5 FCBDLO C[C@@H]1C[N@H+](CCN(C)c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)O1 ZINC000576896167 491654858 /nfs/dbraw/zinc/65/48/58/491654858.db2.gz PSYTWNAEHJLKRX-TXEJJXNPSA-N 1 2 372.447 0.788 20 5 FCBDLO CN(Cc1c[nH+]c[nH]1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000580095739 491717373 /nfs/dbraw/zinc/71/73/73/491717373.db2.gz FTCRXXGWDTULHK-UHFFFAOYSA-N 1 2 354.344 0.910 20 5 FCBDLO CN(Cc1c[nH]c[nH+]1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000580095739 491717374 /nfs/dbraw/zinc/71/73/74/491717374.db2.gz FTCRXXGWDTULHK-UHFFFAOYSA-N 1 2 354.344 0.910 20 5 FCBDLO Cc1c(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000585719223 491723537 /nfs/dbraw/zinc/72/35/37/491723537.db2.gz ZHSDGIKCGCYHJH-GFCCVEGCSA-N 1 2 364.402 0.356 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000589494153 491762961 /nfs/dbraw/zinc/76/29/61/491762961.db2.gz GGIPOKRYOCVPDK-UHFFFAOYSA-N 1 2 371.415 0.849 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000589494153 491762963 /nfs/dbraw/zinc/76/29/63/491762963.db2.gz GGIPOKRYOCVPDK-UHFFFAOYSA-N 1 2 371.415 0.849 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000590556184 491779215 /nfs/dbraw/zinc/77/92/15/491779215.db2.gz ZKCJNPHELNTGBD-CYBMUJFWSA-N 1 2 369.447 0.458 20 5 FCBDLO COC(=O)c1ccnc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000590572462 491779823 /nfs/dbraw/zinc/77/98/23/491779823.db2.gz ISIAUXDPYVDBMF-UHFFFAOYSA-N 1 2 372.341 0.851 20 5 FCBDLO NS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000582742087 491824887 /nfs/dbraw/zinc/82/48/87/491824887.db2.gz RYOJROTXGQWFFL-STQMWFEESA-N 1 2 354.388 0.063 20 5 FCBDLO NS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000582742087 491824888 /nfs/dbraw/zinc/82/48/88/491824888.db2.gz RYOJROTXGQWFFL-STQMWFEESA-N 1 2 354.388 0.063 20 5 FCBDLO CC(C)OCc1nc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000582994071 491835653 /nfs/dbraw/zinc/83/56/53/491835653.db2.gz JKHWQCNOAPWZBV-CMPLNLGQSA-N 1 2 354.367 0.811 20 5 FCBDLO CCn1cc[nH+]c1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000583944666 491855312 /nfs/dbraw/zinc/85/53/12/491855312.db2.gz SLMPJXXLSSOKNH-UHFFFAOYSA-N 1 2 360.374 0.927 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000595124861 491886486 /nfs/dbraw/zinc/88/64/86/491886486.db2.gz GDSOYYGMZMKMDS-VXGBXAGGSA-N 1 2 350.375 0.759 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000595124861 491886489 /nfs/dbraw/zinc/88/64/89/491886489.db2.gz GDSOYYGMZMKMDS-VXGBXAGGSA-N 1 2 350.375 0.759 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596426943 491985148 /nfs/dbraw/zinc/98/51/48/491985148.db2.gz DLBYBZMROJRYSC-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000596426943 491985149 /nfs/dbraw/zinc/98/51/49/491985149.db2.gz DLBYBZMROJRYSC-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000603561850 492037486 /nfs/dbraw/zinc/03/74/86/492037486.db2.gz JZADFYICXPUNIS-UHFFFAOYSA-N 1 2 363.418 0.704 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000603561850 492037488 /nfs/dbraw/zinc/03/74/88/492037488.db2.gz JZADFYICXPUNIS-UHFFFAOYSA-N 1 2 363.418 0.704 20 5 FCBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000604485902 492062331 /nfs/dbraw/zinc/06/23/31/492062331.db2.gz 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000619497889 492266466 /nfs/dbraw/zinc/26/64/66/492266466.db2.gz DKBONSAEWFRNFU-VXGBXAGGSA-N 1 2 373.431 0.679 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000611550201 492290017 /nfs/dbraw/zinc/29/00/17/492290017.db2.gz RJDPYJGTLOWJDC-UHFFFAOYSA-N 1 2 350.423 0.340 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000611550201 492290018 /nfs/dbraw/zinc/29/00/18/492290018.db2.gz RJDPYJGTLOWJDC-UHFFFAOYSA-N 1 2 350.423 0.340 20 5 FCBDLO CN(C)C(=O)COC1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000546755009 546888247 /nfs/dbraw/zinc/88/82/47/546888247.db2.gz AONTXJNTBQJOJL-ZDUSSCGKSA-N 1 2 353.375 0.124 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592201859 546945943 /nfs/dbraw/zinc/94/59/43/546945943.db2.gz WEPMFZBDUNGRHK-YPMHNXCESA-N 1 2 351.359 0.698 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592201859 546945947 /nfs/dbraw/zinc/94/59/47/546945947.db2.gz WEPMFZBDUNGRHK-YPMHNXCESA-N 1 2 351.359 0.698 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000475124085 547345837 /nfs/dbraw/zinc/34/58/37/547345837.db2.gz ZIBIYEKSOYRSNV-LLVKDONJSA-N 1 2 373.387 0.009 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000475124085 547345844 /nfs/dbraw/zinc/34/58/44/547345844.db2.gz ZIBIYEKSOYRSNV-LLVKDONJSA-N 1 2 373.387 0.009 20 5 FCBDLO O=[N+]([O-])c1cnc(N2CCN(c3cccc[nH+]3)CC2)c(-c2nn[nH]n2)c1 ZINC000823652168 599383076 /nfs/dbraw/zinc/38/30/76/599383076.db2.gz WFWBTDCQKROJIE-UHFFFAOYSA-N 1 2 353.346 0.892 20 5 FCBDLO CC(C)C[N@@H+]1CCO[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820093017 607164051 /nfs/dbraw/zinc/16/40/51/607164051.db2.gz RJSBLBRCEZOLQD-NSHDSACASA-N 1 2 362.394 0.939 20 5 FCBDLO CC(C)C[N@H+]1CCO[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820093017 607164052 /nfs/dbraw/zinc/16/40/52/607164052.db2.gz RJSBLBRCEZOLQD-NSHDSACASA-N 1 2 362.394 0.939 20 5 FCBDLO Cc1nnsc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764778 664838885 /nfs/dbraw/zinc/83/88/85/664838885.db2.gz CQEGMGHLQRXOJS-VXGBXAGGSA-N 1 2 351.432 0.936 20 5 FCBDLO Cc1nnsc1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764778 664838890 /nfs/dbraw/zinc/83/88/90/664838890.db2.gz CQEGMGHLQRXOJS-VXGBXAGGSA-N 1 2 351.432 0.936 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000731759834 666838698 /nfs/dbraw/zinc/83/86/98/666838698.db2.gz VHQBQWPSCBCWSC-ZDUSSCGKSA-N 1 2 352.391 0.994 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000731759834 666838700 /nfs/dbraw/zinc/83/87/00/666838700.db2.gz VHQBQWPSCBCWSC-ZDUSSCGKSA-N 1 2 352.391 0.994 20 5 FCBDLO CN(C)c1noc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997767563 667175229 /nfs/dbraw/zinc/17/52/29/667175229.db2.gz 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Nc1nsc(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776590439 668275767 /nfs/dbraw/zinc/27/57/67/668275767.db2.gz DVFSFODUWSPADF-LBPRGKRZSA-N 1 2 350.404 0.884 20 5 FCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCCn1cc[nH+]c1 ZINC000771935670 668282869 /nfs/dbraw/zinc/28/28/69/668282869.db2.gz CEUBIZIRKKCHGG-UHFFFAOYSA-N 1 2 368.371 0.703 20 5 FCBDLO Nc1cc(COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000792277676 668902180 /nfs/dbraw/zinc/90/21/80/668902180.db2.gz CNCYAEWFPGQNDZ-UHFFFAOYSA-N 1 2 366.355 0.594 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820682712 669114837 /nfs/dbraw/zinc/11/48/37/669114837.db2.gz XDAHEDPIQHAMNR-AWEZNQCLSA-N 1 2 351.403 0.977 20 5 FCBDLO COCC[N@H+]1[C@H](C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000844021120 670883407 /nfs/dbraw/zinc/88/34/07/670883407.db2.gz RHZIGVBPZPGWHH-BETUJISGSA-N 1 2 352.391 0.324 20 5 FCBDLO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000844021120 670883417 /nfs/dbraw/zinc/88/34/17/670883417.db2.gz RHZIGVBPZPGWHH-BETUJISGSA-N 1 2 352.391 0.324 20 5 FCBDLO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000857984193 671747881 /nfs/dbraw/zinc/74/78/81/671747881.db2.gz HJUPZHQVGDIARR-NSHDSACASA-N 1 2 365.371 0.622 20 5 FCBDLO O=C(NCC1=CC[N@H+](CCn2cc(Cl)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673111 676058884 /nfs/dbraw/zinc/05/88/84/676058884.db2.gz DXTFDRYNCQADJY-ZIAGYGMSSA-N 1 2 353.810 0.950 20 5 FCBDLO O=C(NCC1=CC[N@@H+](CCn2cc(Cl)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673111 676058886 /nfs/dbraw/zinc/05/88/86/676058886.db2.gz DXTFDRYNCQADJY-ZIAGYGMSSA-N 1 2 353.810 0.950 20 5 FCBDLO CCn1c(C)nnc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436114 675653556 /nfs/dbraw/zinc/65/35/56/675653556.db2.gz IENVLTSKIJEHAF-CHWSQXEVSA-N 1 2 350.423 0.742 20 5 FCBDLO Cc1cc(C[NH2+]Cc2cc(=O)[nH]c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)on1 ZINC001087256834 1180333790 /nfs/dbraw/zinc/33/37/90/1180333790.db2.gz NCZJICDJCJLRPB-VXGBXAGGSA-N 1 2 362.346 0.050 20 5 FCBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000973256901 1182147602 /nfs/dbraw/zinc/14/76/02/1182147602.db2.gz YYGIHHKVSHHLSR-HBJVGIJOSA-N 1 2 361.402 0.191 20 5 FCBDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001025775628 1182831188 /nfs/dbraw/zinc/83/11/88/1182831188.db2.gz KEJHIWCEERLOBO-SSZWKKLZSA-N 1 2 362.361 0.476 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001025775628 1182831190 /nfs/dbraw/zinc/83/11/90/1182831190.db2.gz KEJHIWCEERLOBO-SSZWKKLZSA-N 1 2 362.361 0.476 20 5 FCBDLO Cc1ccccc1NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775366 1182831313 /nfs/dbraw/zinc/83/13/13/1182831313.db2.gz SGIRZPROEGQUTM-FVFNWAJOSA-N 1 2 358.398 0.645 20 5 FCBDLO Cc1ccccc1NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775366 1182831317 /nfs/dbraw/zinc/83/13/17/1182831317.db2.gz SGIRZPROEGQUTM-FVFNWAJOSA-N 1 2 358.398 0.645 20 5 FCBDLO CC(C)COCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235887 1183149903 /nfs/dbraw/zinc/14/99/03/1183149903.db2.gz YNFRAKKNPZXZJQ-HUUCEWRRSA-N 1 2 366.422 0.089 20 5 FCBDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000981138710 1186329668 /nfs/dbraw/zinc/32/96/68/1186329668.db2.gz ZNEUGEKPZCLSNH-HZPDHXFCSA-N 1 2 366.462 0.977 20 5 FCBDLO CN(C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000981138710 1186329674 /nfs/dbraw/zinc/32/96/74/1186329674.db2.gz ZNEUGEKPZCLSNH-HZPDHXFCSA-N 1 2 366.462 0.977 20 5 FCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907086613 1195679919 /nfs/dbraw/zinc/67/99/19/1195679919.db2.gz AMABKFWHLRTZLY-GFCCVEGCSA-N 1 2 362.386 0.486 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592200959 1196560301 /nfs/dbraw/zinc/56/03/01/1196560301.db2.gz XFVHLGQOMIIZQO-OCCSQVGLSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592200959 1196560304 /nfs/dbraw/zinc/56/03/04/1196560304.db2.gz XFVHLGQOMIIZQO-OCCSQVGLSA-N 1 2 363.370 0.340 20 5 FCBDLO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082862 1198140659 /nfs/dbraw/zinc/14/06/59/1198140659.db2.gz GBJGEOODEDJAGE-OCVGTWLNSA-N 1 2 370.413 0.917 20 5 FCBDLO Cn1cc([C@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000743644355 1198273134 /nfs/dbraw/zinc/27/31/34/1198273134.db2.gz CTUSFTIKPGBKJU-OAHLLOKOSA-N 1 2 356.342 0.977 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000770473250 1200453864 /nfs/dbraw/zinc/45/38/64/1200453864.db2.gz IKBFSAIPWFUGES-NSHDSACASA-N 1 2 362.390 0.991 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000770473250 1200453869 /nfs/dbraw/zinc/45/38/69/1200453869.db2.gz IKBFSAIPWFUGES-NSHDSACASA-N 1 2 362.390 0.991 20 5 FCBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771033180 1200518585 /nfs/dbraw/zinc/51/85/85/1200518585.db2.gz NHGIQKZFVASTTM-OAHLLOKOSA-N 1 2 359.386 0.878 20 5 FCBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703637 1200898343 /nfs/dbraw/zinc/89/83/43/1200898343.db2.gz OLXUDULEDNFCNO-SNVBAGLBSA-N 1 2 367.410 0.612 20 5 FCBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703637 1200898346 /nfs/dbraw/zinc/89/83/46/1200898346.db2.gz OLXUDULEDNFCNO-SNVBAGLBSA-N 1 2 367.410 0.612 20 5 FCBDLO CC(C)OCCCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195768612 1208037952 /nfs/dbraw/zinc/03/79/52/1208037952.db2.gz FHCZSRPIFAIRFC-HUUCEWRRSA-N 1 2 370.450 0.117 20 5 FCBDLO 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ZINC001603051574 1287198201 /nfs/dbraw/zinc/19/82/01/1287198201.db2.gz PQGRWHHQQMPEMQ-UHFFFAOYSA-N 1 2 360.378 0.161 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001603051304 1287198418 /nfs/dbraw/zinc/19/84/18/1287198418.db2.gz GIAXXCVVOGWOCZ-UHFFFAOYSA-N 1 2 374.405 0.156 20 5 FCBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754945704 1290639600 /nfs/dbraw/zinc/63/96/00/1290639600.db2.gz GEQCMEKFPTYUNN-HZPDHXFCSA-N 1 2 362.430 0.924 20 5 FCBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754945704 1290639611 /nfs/dbraw/zinc/63/96/11/1290639611.db2.gz GEQCMEKFPTYUNN-HZPDHXFCSA-N 1 2 362.430 0.924 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(C[NH2+]Cc3ccsc3)nn2)C1 ZINC001093318750 843422057 /nfs/dbraw/zinc/42/20/57/843422057.db2.gz NPDGXKQHNWUHLP-ZIAGYGMSSA-N 1 2 362.415 0.678 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC(N)=O)CC1 ZINC001116333836 846658156 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DDCJMRZCFSWDOR-UHFFFAOYSA-N 1 2 352.391 0.596 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])cn1 ZINC001163413166 850366897 /nfs/dbraw/zinc/36/68/97/850366897.db2.gz VBJVDOIYIVTGML-VIFPVBQESA-N 1 2 354.754 0.965 20 5 FCBDLO CS(=O)(=O)CC1(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001227258109 857152928 /nfs/dbraw/zinc/15/29/28/857152928.db2.gz KJWPVFIWCYDYOE-CHWSQXEVSA-N 1 2 359.448 0.057 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001322797548 868949163 /nfs/dbraw/zinc/94/91/63/868949163.db2.gz WPCCYWWAVUGYOO-JTQLQIEISA-N 1 2 354.338 0.179 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001322797548 868949167 /nfs/dbraw/zinc/94/91/67/868949167.db2.gz WPCCYWWAVUGYOO-JTQLQIEISA-N 1 2 354.338 0.179 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(C[N+](=O)[O-])n1Cc1cccs1 ZINC001343520602 870467944 /nfs/dbraw/zinc/46/79/44/870467944.db2.gz NFEHBNCRGNXJCJ-UHFFFAOYSA-N 1 2 366.447 0.933 20 5 FCBDLO COC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000265940604 210252745 /nfs/dbraw/zinc/25/27/45/210252745.db2.gz FUPYWWHSWSRURQ-LBPRGKRZSA-N 1 2 373.431 0.945 20 5 FCBDLO CC(C)(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+]1CCOCC1 ZINC000296871353 214367420 /nfs/dbraw/zinc/36/74/20/214367420.db2.gz HDLRQOIUVDNEHV-UHFFFAOYSA-N 1 2 363.418 0.749 20 5 FCBDLO CN(CC(=O)NCc1[nH+]ccn1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265660966 210190515 /nfs/dbraw/zinc/19/05/15/210190515.db2.gz DOVVJNPSKHHJMK-UHFFFAOYSA-N 1 2 367.387 0.265 20 5 FCBDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000265504575 210151106 /nfs/dbraw/zinc/15/11/06/210151106.db2.gz DHECWCVQOYZQBX-NSHDSACASA-N 1 2 368.415 0.319 20 5 FCBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000265415873 210128867 /nfs/dbraw/zinc/12/88/67/210128867.db2.gz BKNOTJSYOABHQX-CYBMUJFWSA-N 1 2 362.386 0.258 20 5 FCBDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000331757480 215043192 /nfs/dbraw/zinc/04/31/92/215043192.db2.gz MNVZEHFAQLFBTD-ZDUSSCGKSA-N 1 2 361.406 0.775 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265161519 210065788 /nfs/dbraw/zinc/06/57/88/210065788.db2.gz BSGIXCFEFVMOKQ-GFCCVEGCSA-N 1 2 370.431 0.842 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265161519 210065793 /nfs/dbraw/zinc/06/57/93/210065793.db2.gz BSGIXCFEFVMOKQ-GFCCVEGCSA-N 1 2 370.431 0.842 20 5 FCBDLO CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000332170281 215104437 /nfs/dbraw/zinc/10/44/37/215104437.db2.gz SOUURDXYOMBRPN-OLZOCXBDSA-N 1 2 351.407 0.994 20 5 FCBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000264856548 210001490 /nfs/dbraw/zinc/00/14/90/210001490.db2.gz ODJPYXUCXBAADV-ZDUSSCGKSA-N 1 2 350.423 0.552 20 5 FCBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000264856548 210001493 /nfs/dbraw/zinc/00/14/93/210001493.db2.gz ODJPYXUCXBAADV-ZDUSSCGKSA-N 1 2 350.423 0.552 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000360539084 215363862 /nfs/dbraw/zinc/36/38/62/215363862.db2.gz PQTINHPCGOLYKU-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000360539084 215363865 /nfs/dbraw/zinc/36/38/65/215363865.db2.gz PQTINHPCGOLYKU-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000283902806 213031313 /nfs/dbraw/zinc/03/13/13/213031313.db2.gz DAQABKLIOCZFGS-LSDHHAIUSA-N 1 2 362.386 0.256 20 5 FCBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000283902806 213031315 /nfs/dbraw/zinc/03/13/15/213031315.db2.gz DAQABKLIOCZFGS-LSDHHAIUSA-N 1 2 362.386 0.256 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000283791981 213008227 /nfs/dbraw/zinc/00/82/27/213008227.db2.gz SBURNTATDYFWPB-CYBMUJFWSA-N 1 2 367.402 0.819 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000412434048 237209723 /nfs/dbraw/zinc/20/97/23/237209723.db2.gz FWEZCCFKYSJIRO-UHFFFAOYSA-N 1 2 370.381 0.735 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000413887435 237396198 /nfs/dbraw/zinc/39/61/98/237396198.db2.gz XFSFAILYKAZZQN-UHFFFAOYSA-N 1 2 369.422 0.332 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246326705 209384920 /nfs/dbraw/zinc/38/49/20/209384920.db2.gz ZHRAQVYHSOQGRM-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246326705 209384924 /nfs/dbraw/zinc/38/49/24/209384924.db2.gz ZHRAQVYHSOQGRM-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000109119008 209297930 /nfs/dbraw/zinc/29/79/30/209297930.db2.gz YJHMICIDPSNWPI-UHFFFAOYSA-N 1 2 367.381 0.600 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000109119008 209297934 /nfs/dbraw/zinc/29/79/34/209297934.db2.gz YJHMICIDPSNWPI-UHFFFAOYSA-N 1 2 367.381 0.600 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376868 216391062 /nfs/dbraw/zinc/39/10/62/216391062.db2.gz ABZHUEMQOXIEHF-CFVMTHIKSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376868 216391064 /nfs/dbraw/zinc/39/10/64/216391064.db2.gz ABZHUEMQOXIEHF-CFVMTHIKSA-N 1 2 354.359 0.597 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000189084721 209245200 /nfs/dbraw/zinc/24/52/00/209245200.db2.gz DASHENUEKBRROU-WDEREUQCSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000189084721 209245201 /nfs/dbraw/zinc/24/52/01/209245201.db2.gz DASHENUEKBRROU-WDEREUQCSA-N 1 2 361.395 0.810 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189093785 209244077 /nfs/dbraw/zinc/24/40/77/209244077.db2.gz RKKGCZPKRPDWSR-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189093785 209244081 /nfs/dbraw/zinc/24/40/81/209244081.db2.gz RKKGCZPKRPDWSR-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000186643483 209194007 /nfs/dbraw/zinc/19/40/07/209194007.db2.gz XSUJNFUZRGQWLD-NSHDSACASA-N 1 2 364.406 0.307 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000186643483 209194009 /nfs/dbraw/zinc/19/40/09/209194009.db2.gz XSUJNFUZRGQWLD-NSHDSACASA-N 1 2 364.406 0.307 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000275661494 212069382 /nfs/dbraw/zinc/06/93/82/212069382.db2.gz MYLYNRCOJHXKID-LLVKDONJSA-N 1 2 359.404 0.291 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656832 212068580 /nfs/dbraw/zinc/06/85/80/212068580.db2.gz XRYZSEHEBVPJNK-WHOFXGATSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656832 212068583 /nfs/dbraw/zinc/06/85/83/212068583.db2.gz XRYZSEHEBVPJNK-WHOFXGATSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656830 212067878 /nfs/dbraw/zinc/06/78/78/212067878.db2.gz XRYZSEHEBVPJNK-LNSITVRQSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275656830 212067880 /nfs/dbraw/zinc/06/78/80/212067880.db2.gz XRYZSEHEBVPJNK-LNSITVRQSA-N 1 2 354.359 0.333 20 5 FCBDLO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275603529 212058393 /nfs/dbraw/zinc/05/83/93/212058393.db2.gz LCHRUHJXSZDPRW-NSHDSACASA-N 1 2 368.365 0.588 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000182404451 209130505 /nfs/dbraw/zinc/13/05/05/209130505.db2.gz RNCVJXBVPWZKOT-ZDUSSCGKSA-N 1 2 357.432 0.980 20 5 FCBDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)N(C)C ZINC000440503017 248192147 /nfs/dbraw/zinc/19/21/47/248192147.db2.gz SZHTUROPHLYVSF-VXGBXAGGSA-N 1 2 364.406 0.069 20 5 FCBDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)N(C)C ZINC000440503017 248192152 /nfs/dbraw/zinc/19/21/52/248192152.db2.gz SZHTUROPHLYVSF-VXGBXAGGSA-N 1 2 364.406 0.069 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442828932 248298464 /nfs/dbraw/zinc/29/84/64/248298464.db2.gz SUBBJBVYTKHRHU-INIZCTEOSA-N 1 2 367.406 0.864 20 5 FCBDLO C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCOCC1 ZINC000443235869 248313740 /nfs/dbraw/zinc/31/37/40/248313740.db2.gz CYIJVWYFVZEFEI-LBPRGKRZSA-N 1 2 365.433 0.018 20 5 FCBDLO COc1cccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000443945045 248344112 /nfs/dbraw/zinc/34/41/12/248344112.db2.gz QRKQATZMLKDKOU-UHFFFAOYSA-N 1 2 350.375 0.497 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000444403595 248359158 /nfs/dbraw/zinc/35/91/58/248359158.db2.gz ZRWYOEJNGUNDIJ-UHFFFAOYSA-N 1 2 366.418 0.468 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000444403595 248359159 /nfs/dbraw/zinc/35/91/59/248359159.db2.gz ZRWYOEJNGUNDIJ-UHFFFAOYSA-N 1 2 366.418 0.468 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000271312036 211376610 /nfs/dbraw/zinc/37/66/10/211376610.db2.gz IFHAMCSVIOSAEH-BXUZGUMPSA-N 1 2 370.431 0.935 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000271312036 211376615 /nfs/dbraw/zinc/37/66/15/211376615.db2.gz IFHAMCSVIOSAEH-BXUZGUMPSA-N 1 2 370.431 0.935 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000470965566 250083767 /nfs/dbraw/zinc/08/37/67/250083767.db2.gz CHIKILLQJNQIQF-UHFFFAOYSA-N 1 2 363.418 0.723 20 5 FCBDLO CCOc1cc(N2CC[NH+](CC(=O)NCCOC)CC2)ccc1[N+](=O)[O-] ZINC000471255913 250096835 /nfs/dbraw/zinc/09/68/35/250096835.db2.gz DCAYZFZRXKAHHT-UHFFFAOYSA-N 1 2 366.418 0.878 20 5 FCBDLO NC(=O)[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000472346577 250145777 /nfs/dbraw/zinc/14/57/77/250145777.db2.gz FDVNJIXZRUWVQS-OAHLLOKOSA-N 1 2 350.375 0.118 20 5 FCBDLO CNC(=O)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000472357570 250146618 /nfs/dbraw/zinc/14/66/18/250146618.db2.gz AYYMJILDVZZKLI-INIZCTEOSA-N 1 2 364.402 0.378 20 5 FCBDLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269831303 211092887 /nfs/dbraw/zinc/09/28/87/211092887.db2.gz CULUAVKDCRGCNR-CQSZACIVSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269831303 211092892 /nfs/dbraw/zinc/09/28/92/211092892.db2.gz CULUAVKDCRGCNR-CQSZACIVSA-N 1 2 358.416 0.844 20 5 FCBDLO CC(C)(C)NC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000481154187 250319050 /nfs/dbraw/zinc/31/90/50/250319050.db2.gz LAVMELLRVWQQGC-UHFFFAOYSA-N 1 2 351.407 0.882 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000481712525 250350274 /nfs/dbraw/zinc/35/02/74/250350274.db2.gz AWKKQKVYJYHQQQ-UHFFFAOYSA-N 1 2 373.373 0.363 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000269753958 211067041 /nfs/dbraw/zinc/06/70/41/211067041.db2.gz AOHSWVQANIKLKO-OAHLLOKOSA-N 1 2 373.431 0.050 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078440756 208080069 /nfs/dbraw/zinc/08/00/69/208080069.db2.gz GAGQCVVLLMWKOQ-CYBMUJFWSA-N 1 2 351.407 0.653 20 5 FCBDLO Cc1c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178784949 209061488 /nfs/dbraw/zinc/06/14/88/209061488.db2.gz MNVUZUKDUWCFDA-OAHLLOKOSA-N 1 2 371.401 0.214 20 5 FCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000178611146 209055039 /nfs/dbraw/zinc/05/50/39/209055039.db2.gz DRXGLVVYMISSJP-OAHLLOKOSA-N 1 2 356.386 0.510 20 5 FCBDLO Cn1cc(C[NH+]2CCN(CC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179831639 209086970 /nfs/dbraw/zinc/08/69/70/209086970.db2.gz SIXQANVNXRITHW-UHFFFAOYSA-N 1 2 358.402 0.598 20 5 FCBDLO Cn1ncc2c1nc(N1CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C1)[nH+]c2N ZINC000302905451 488892756 /nfs/dbraw/zinc/89/27/56/488892756.db2.gz VUNOQHPETKSNRL-SECBINFHSA-N 1 2 355.362 0.940 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287822401 488909927 /nfs/dbraw/zinc/90/99/27/488909927.db2.gz MLAOCTNTJQJAOJ-UHFFFAOYSA-N 1 2 352.372 0.841 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000029668442 487728693 /nfs/dbraw/zinc/72/86/93/487728693.db2.gz VFYKHYYVMTZLOL-UHFFFAOYSA-N 1 2 363.418 0.595 20 5 FCBDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031328185 487758453 /nfs/dbraw/zinc/75/84/53/487758453.db2.gz JKOHGQVQZGSFDW-UHFFFAOYSA-N 1 2 359.342 0.857 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000045852588 487957198 /nfs/dbraw/zinc/95/71/98/487957198.db2.gz KNNSEVDAFJMQEN-UHFFFAOYSA-N 1 2 350.375 0.254 20 5 FCBDLO CNS(=O)(=O)c1ccc(N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000052208245 488159850 /nfs/dbraw/zinc/15/98/50/488159850.db2.gz JOCNIRLRJZEISK-LLVKDONJSA-N 1 2 358.420 0.636 20 5 FCBDLO O=C(NC1CC1)C(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065534823 488319395 /nfs/dbraw/zinc/31/93/95/488319395.db2.gz AFVXNRDXAKDKAE-UHFFFAOYSA-N 1 2 362.386 0.396 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066614719 488333256 /nfs/dbraw/zinc/33/32/56/488333256.db2.gz VXBJDJIRFYMKJO-NSHDSACASA-N 1 2 351.359 0.817 20 5 FCBDLO NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000077523920 488415189 /nfs/dbraw/zinc/41/51/89/488415189.db2.gz YYAULTPIIYLFIA-UHFFFAOYSA-N 1 2 361.402 0.438 20 5 FCBDLO CNC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000080372271 488435721 /nfs/dbraw/zinc/43/57/21/488435721.db2.gz ASKZMDJTFSJDJL-UHFFFAOYSA-N 1 2 358.358 0.878 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000246214309 488470751 /nfs/dbraw/zinc/47/07/51/488470751.db2.gz ODLUIXXTFBCVIR-QWHCGFSZSA-N 1 2 358.420 0.459 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000246214309 488470754 /nfs/dbraw/zinc/47/07/54/488470754.db2.gz ODLUIXXTFBCVIR-QWHCGFSZSA-N 1 2 358.420 0.459 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248428190 488495756 /nfs/dbraw/zinc/49/57/56/488495756.db2.gz ORBWCEUPNWDEOM-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248428190 488495757 /nfs/dbraw/zinc/49/57/57/488495757.db2.gz ORBWCEUPNWDEOM-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248648100 488499726 /nfs/dbraw/zinc/49/97/26/488499726.db2.gz JIFCCWUYQRUWLV-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248648100 488499727 /nfs/dbraw/zinc/49/97/27/488499727.db2.gz JIFCCWUYQRUWLV-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO COC(=O)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000271512414 488523763 /nfs/dbraw/zinc/52/37/63/488523763.db2.gz VVFZDLFKDDQUGY-UHFFFAOYSA-N 1 2 352.343 0.961 20 5 FCBDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261952976 488543153 /nfs/dbraw/zinc/54/31/53/488543153.db2.gz GGBCKWLGUUHPHC-GFCCVEGCSA-N 1 2 369.378 0.803 20 5 FCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000262067364 488549133 /nfs/dbraw/zinc/54/91/33/488549133.db2.gz RSPMUJPDFVYULS-NSHDSACASA-N 1 2 369.378 0.803 20 5 FCBDLO [NH3+]CC(F)(F)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262469703 488571910 /nfs/dbraw/zinc/57/19/10/488571910.db2.gz NQSFQWXQQNFGTB-UHFFFAOYSA-N 1 2 353.303 0.238 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272892631 488614743 /nfs/dbraw/zinc/61/47/43/488614743.db2.gz KDHBBCUABWTSNS-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272892631 488614745 /nfs/dbraw/zinc/61/47/45/488614745.db2.gz KDHBBCUABWTSNS-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000273346445 488645632 /nfs/dbraw/zinc/64/56/32/488645632.db2.gz OOXFDNIJMUQJHJ-UONOGXRCSA-N 1 2 353.375 0.171 20 5 FCBDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000273346445 488645634 /nfs/dbraw/zinc/64/56/34/488645634.db2.gz OOXFDNIJMUQJHJ-UONOGXRCSA-N 1 2 353.375 0.171 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000264124303 488648926 /nfs/dbraw/zinc/64/89/26/488648926.db2.gz LHLMDOSRMVGWMX-LLVKDONJSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273484518 488653922 /nfs/dbraw/zinc/65/39/22/488653922.db2.gz NNBPDFHVCFKTLY-LLVKDONJSA-N 1 2 357.436 0.290 20 5 FCBDLO COC(C[N@H+](CCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)OC ZINC000273637750 488663919 /nfs/dbraw/zinc/66/39/19/488663919.db2.gz UBCNVNAWTBZPJJ-UHFFFAOYSA-N 1 2 367.402 0.787 20 5 FCBDLO COC(C[N@@H+](CCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)OC ZINC000273637750 488663923 /nfs/dbraw/zinc/66/39/23/488663923.db2.gz UBCNVNAWTBZPJJ-UHFFFAOYSA-N 1 2 367.402 0.787 20 5 FCBDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273701539 488667783 /nfs/dbraw/zinc/66/77/83/488667783.db2.gz CYCFUIMRNVPGJU-GFCCVEGCSA-N 1 2 371.415 0.853 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000264611865 488690613 /nfs/dbraw/zinc/69/06/13/488690613.db2.gz NVHIXQIHKKGYQU-UHFFFAOYSA-N 1 2 367.402 0.911 20 5 FCBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274246618 488693286 /nfs/dbraw/zinc/69/32/86/488693286.db2.gz YVPJIGBXSUZUHL-UKRRQHHQSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274246618 488693287 /nfs/dbraw/zinc/69/32/87/488693287.db2.gz YVPJIGBXSUZUHL-UKRRQHHQSA-N 1 2 358.416 0.844 20 5 FCBDLO O=[N+]([O-])c1ccc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000274242680 488693305 /nfs/dbraw/zinc/69/33/05/488693305.db2.gz WIUBQINYTVVTBQ-UHFFFAOYSA-N 1 2 357.432 0.779 20 5 FCBDLO COc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c([N+](=O)[O-])cc1F ZINC000274362034 488701211 /nfs/dbraw/zinc/70/12/11/488701211.db2.gz ZVYSGMPLIKBIBB-UHFFFAOYSA-N 1 2 352.322 0.917 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264719705 488702694 /nfs/dbraw/zinc/70/26/94/488702694.db2.gz NCKFJFIAZMLFRA-UHFFFAOYSA-N 1 2 356.404 0.207 20 5 FCBDLO COc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000264725693 488703585 /nfs/dbraw/zinc/70/35/85/488703585.db2.gz MATZLERBHOPEEE-ZDUSSCGKSA-N 1 2 351.407 0.648 20 5 FCBDLO COc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000264725693 488703588 /nfs/dbraw/zinc/70/35/88/488703588.db2.gz MATZLERBHOPEEE-ZDUSSCGKSA-N 1 2 351.407 0.648 20 5 FCBDLO O=C(C[NH+](CCO)CCO)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153703465 488733965 /nfs/dbraw/zinc/73/39/65/488733965.db2.gz CJRCPFYMUKTXJO-UHFFFAOYSA-N 1 2 362.180 0.582 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000266855776 488737419 /nfs/dbraw/zinc/73/74/19/488737419.db2.gz GYFSDNCRKDZVDF-UHFFFAOYSA-N 1 2 363.418 0.805 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000155706909 488758282 /nfs/dbraw/zinc/75/82/82/488758282.db2.gz YNOYGVDAWPWLKX-GFCCVEGCSA-N 1 2 367.387 0.768 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000155706909 488758284 /nfs/dbraw/zinc/75/82/84/488758284.db2.gz YNOYGVDAWPWLKX-GFCCVEGCSA-N 1 2 367.387 0.768 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155758566 488758832 /nfs/dbraw/zinc/75/88/32/488758832.db2.gz MTRJQHPHRIIGQF-GFCCVEGCSA-N 1 2 367.387 0.768 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155758566 488758834 /nfs/dbraw/zinc/75/88/34/488758834.db2.gz MTRJQHPHRIIGQF-GFCCVEGCSA-N 1 2 367.387 0.768 20 5 FCBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157591042 488772394 /nfs/dbraw/zinc/77/23/94/488772394.db2.gz ZEWBQSRRYWDERX-HNNXBMFYSA-N 1 2 364.450 0.810 20 5 FCBDLO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157591042 488772396 /nfs/dbraw/zinc/77/23/96/488772396.db2.gz ZEWBQSRRYWDERX-HNNXBMFYSA-N 1 2 364.450 0.810 20 5 FCBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000267616955 488805254 /nfs/dbraw/zinc/80/52/54/488805254.db2.gz PKLWFOARCKMQAP-ZDUSSCGKSA-N 1 2 352.391 0.158 20 5 FCBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000267616955 488805255 /nfs/dbraw/zinc/80/52/55/488805255.db2.gz PKLWFOARCKMQAP-ZDUSSCGKSA-N 1 2 352.391 0.158 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267648108 488809270 /nfs/dbraw/zinc/80/92/70/488809270.db2.gz WZUULGINPOOQGP-CZUORRHYSA-N 1 2 366.418 0.547 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000170686145 488814919 /nfs/dbraw/zinc/81/49/19/488814919.db2.gz REWDAUGORKBLRH-UHFFFAOYSA-N 1 2 357.432 0.891 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000267760530 488818115 /nfs/dbraw/zinc/81/81/15/488818115.db2.gz XVSSDZKQXMIWIO-CQSZACIVSA-N 1 2 368.346 0.268 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000171886432 488827863 /nfs/dbraw/zinc/82/78/63/488827863.db2.gz XAPGBKLLUSAEHG-INIZCTEOSA-N 1 2 373.413 0.851 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000173456243 488842901 /nfs/dbraw/zinc/84/29/01/488842901.db2.gz UMJVXLYKLOCZNV-LBPRGKRZSA-N 1 2 374.438 0.896 20 5 FCBDLO Cc1nn(C)c(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000174415458 488849179 /nfs/dbraw/zinc/84/91/79/488849179.db2.gz SLSGQKRPLZEKRR-VIFPVBQESA-N 1 2 352.420 0.886 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000176236825 488857774 /nfs/dbraw/zinc/85/77/74/488857774.db2.gz ODLUIXXTFBCVIR-OLZOCXBDSA-N 1 2 358.420 0.459 20 5 FCBDLO O=[N+]([O-])c1ccn(CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000176236825 488857775 /nfs/dbraw/zinc/85/77/75/488857775.db2.gz ODLUIXXTFBCVIR-OLZOCXBDSA-N 1 2 358.420 0.459 20 5 FCBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000330422233 489099839 /nfs/dbraw/zinc/09/98/39/489099839.db2.gz YKZMRKNWBRQKGB-LBPRGKRZSA-N 1 2 370.431 0.889 20 5 FCBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000330422233 489099841 /nfs/dbraw/zinc/09/98/41/489099841.db2.gz YKZMRKNWBRQKGB-LBPRGKRZSA-N 1 2 370.431 0.889 20 5 FCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366053564 489139500 /nfs/dbraw/zinc/13/95/00/489139500.db2.gz RURIVPKASMXVNA-HNNXBMFYSA-N 1 2 362.386 0.258 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000297890508 489258256 /nfs/dbraw/zinc/25/82/56/489258256.db2.gz OBKNMDQEEFCPCM-ZDUSSCGKSA-N 1 2 364.402 0.987 20 5 FCBDLO O=C(C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000370023257 489304583 /nfs/dbraw/zinc/30/45/83/489304583.db2.gz VRAAPKPVNOHYQG-OCCSQVGLSA-N 1 2 360.370 0.914 20 5 FCBDLO O=C(C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000370023257 489304584 /nfs/dbraw/zinc/30/45/84/489304584.db2.gz VRAAPKPVNOHYQG-OCCSQVGLSA-N 1 2 360.370 0.914 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298560725 489337391 /nfs/dbraw/zinc/33/73/91/489337391.db2.gz PIESIRGNELETLE-IINYFYTJSA-N 1 2 367.358 0.540 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298560725 489337393 /nfs/dbraw/zinc/33/73/93/489337393.db2.gz PIESIRGNELETLE-IINYFYTJSA-N 1 2 367.358 0.540 20 5 FCBDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000286111698 489357253 /nfs/dbraw/zinc/35/72/53/489357253.db2.gz WFRAULCFEFKFFR-KGLIPLIRSA-N 1 2 359.386 0.582 20 5 FCBDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000286111698 489357255 /nfs/dbraw/zinc/35/72/55/489357255.db2.gz WFRAULCFEFKFFR-KGLIPLIRSA-N 1 2 359.386 0.582 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000361746532 489364510 /nfs/dbraw/zinc/36/45/10/489364510.db2.gz VZZQHWOZPLQTQI-JTQLQIEISA-N 1 2 356.404 0.675 20 5 FCBDLO NS(=O)(=O)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000361747476 489364597 /nfs/dbraw/zinc/36/45/97/489364597.db2.gz ZWJQZRIORLMIEU-UHFFFAOYSA-N 1 2 367.387 0.898 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361751234 489365266 /nfs/dbraw/zinc/36/52/66/489365266.db2.gz LVNOVVCJEIUAKI-ZDUSSCGKSA-N 1 2 356.404 0.181 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361751234 489365269 /nfs/dbraw/zinc/36/52/69/489365269.db2.gz LVNOVVCJEIUAKI-ZDUSSCGKSA-N 1 2 356.404 0.181 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000361982777 489370617 /nfs/dbraw/zinc/37/06/17/489370617.db2.gz VUICBEAZYSJCHQ-TZMCWYRMSA-N 1 2 355.416 0.815 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000370580730 489377937 /nfs/dbraw/zinc/37/79/37/489377937.db2.gz WZGICZIQQRVTGF-SLEUVZQESA-N 1 2 356.400 0.453 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000370580730 489377940 /nfs/dbraw/zinc/37/79/40/489377940.db2.gz WZGICZIQQRVTGF-SLEUVZQESA-N 1 2 356.400 0.453 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN([C@@H]3CCOC3)CC2)c1 ZINC000362218329 489379174 /nfs/dbraw/zinc/37/91/74/489379174.db2.gz KUNQLABOPCLSEM-HZPDHXFCSA-N 1 2 351.403 0.741 20 5 FCBDLO C[C@H](CO)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000299047955 489399522 /nfs/dbraw/zinc/39/95/22/489399522.db2.gz GNSILSDITGLPBI-LBPRGKRZSA-N 1 2 372.447 0.571 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082244 489420903 /nfs/dbraw/zinc/42/09/03/489420903.db2.gz SGUAICXLXOLFPG-QWHCGFSZSA-N 1 2 351.407 0.942 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082244 489420906 /nfs/dbraw/zinc/42/09/06/489420906.db2.gz SGUAICXLXOLFPG-QWHCGFSZSA-N 1 2 351.407 0.942 20 5 FCBDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCN2C1=O ZINC000363320993 489452013 /nfs/dbraw/zinc/45/20/13/489452013.db2.gz LJBDKTPYWIAQPQ-ZDUSSCGKSA-N 1 2 361.358 0.162 20 5 FCBDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCN2C1=O ZINC000363320993 489452016 /nfs/dbraw/zinc/45/20/16/489452016.db2.gz LJBDKTPYWIAQPQ-ZDUSSCGKSA-N 1 2 361.358 0.162 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148317 489551458 /nfs/dbraw/zinc/55/14/58/489551458.db2.gz FHJVHNXXDYDPNN-UONOGXRCSA-N 1 2 368.415 0.324 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148317 489551461 /nfs/dbraw/zinc/55/14/61/489551461.db2.gz FHJVHNXXDYDPNN-UONOGXRCSA-N 1 2 368.415 0.324 20 5 FCBDLO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000372246908 489563466 /nfs/dbraw/zinc/56/34/66/489563466.db2.gz IBWGUPVURCYLBF-ZDUSSCGKSA-N 1 2 364.402 0.437 20 5 FCBDLO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000372246908 489563468 /nfs/dbraw/zinc/56/34/68/489563468.db2.gz IBWGUPVURCYLBF-ZDUSSCGKSA-N 1 2 364.402 0.437 20 5 FCBDLO 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CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475101011 489806260 /nfs/dbraw/zinc/80/62/60/489806260.db2.gz BDYINSIYZZKATO-GFCCVEGCSA-N 1 2 366.374 0.650 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475101011 489806262 /nfs/dbraw/zinc/80/62/62/489806262.db2.gz BDYINSIYZZKATO-GFCCVEGCSA-N 1 2 366.374 0.650 20 5 FCBDLO COCCC(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000475657585 489840442 /nfs/dbraw/zinc/84/04/42/489840442.db2.gz AZRXFEDVYQQJIR-OAHLLOKOSA-N 1 2 367.402 0.515 20 5 FCBDLO CCOC(=O)[C@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000460103587 489848856 /nfs/dbraw/zinc/84/88/56/489848856.db2.gz JKWQJIDGJZOHNO-MRXNPFEDSA-N 1 2 362.342 0.824 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494697978 489905769 /nfs/dbraw/zinc/90/57/69/489905769.db2.gz GWIMBEJNPLLSGY-NEPJUHHUSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494697978 489905770 /nfs/dbraw/zinc/90/57/70/489905770.db2.gz GWIMBEJNPLLSGY-NEPJUHHUSA-N 1 2 370.431 0.935 20 5 FCBDLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000494997695 489922517 /nfs/dbraw/zinc/92/25/17/489922517.db2.gz KVDAGHTZQCHFCV-SNVBAGLBSA-N 1 2 361.362 0.348 20 5 FCBDLO CNC(=O)Cc1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000494997695 489922519 /nfs/dbraw/zinc/92/25/19/489922519.db2.gz KVDAGHTZQCHFCV-SNVBAGLBSA-N 1 2 361.362 0.348 20 5 FCBDLO CCN(CC)C(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421009770 490042157 /nfs/dbraw/zinc/04/21/57/490042157.db2.gz ILKQNCGKXXGDMU-UHFFFAOYSA-N 1 2 372.447 0.673 20 5 FCBDLO CCN(CC)C(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421009770 490042162 /nfs/dbraw/zinc/04/21/62/490042162.db2.gz ILKQNCGKXXGDMU-UHFFFAOYSA-N 1 2 372.447 0.673 20 5 FCBDLO CN1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 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NS(=O)(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000534141720 490324956 /nfs/dbraw/zinc/32/49/56/490324956.db2.gz NLMWDMCDGMUOQZ-UHFFFAOYSA-N 1 2 357.388 0.714 20 5 FCBDLO COCCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000548028604 490409621 /nfs/dbraw/zinc/40/96/21/490409621.db2.gz JOXHVFDITJEKOF-HUUCEWRRSA-N 1 2 363.370 0.964 20 5 FCBDLO COCCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000548028604 490409626 /nfs/dbraw/zinc/40/96/26/490409626.db2.gz JOXHVFDITJEKOF-HUUCEWRRSA-N 1 2 363.370 0.964 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000499368205 490418925 /nfs/dbraw/zinc/41/89/25/490418925.db2.gz DLYCTRRNXACJMF-UHFFFAOYSA-N 1 2 373.369 0.305 20 5 FCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCc1[nH]cc[nH+]1 ZINC000468920683 490464573 /nfs/dbraw/zinc/46/45/73/490464573.db2.gz JTBRIIKKSFXEOJ-UHFFFAOYSA-N 1 2 367.387 0.345 20 5 FCBDLO O=C(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC1 ZINC000450429868 490466603 /nfs/dbraw/zinc/46/66/03/490466603.db2.gz NSRTWNRSWAUGIB-UHFFFAOYSA-N 1 2 359.342 0.369 20 5 FCBDLO CNC(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450678338 490484034 /nfs/dbraw/zinc/48/40/34/490484034.db2.gz STWGTZOWYNSADV-LBPRGKRZSA-N 1 2 358.358 0.924 20 5 FCBDLO Cc1c(C(=O)NCCc2c[nH+]cn2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000548460089 490490024 /nfs/dbraw/zinc/49/00/24/490490024.db2.gz PIPXHMSIJWPLKS-UHFFFAOYSA-N 1 2 367.387 0.257 20 5 FCBDLO Cn1cc([C@H](CO)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000535544069 490497520 /nfs/dbraw/zinc/49/75/20/490497520.db2.gz ZSRUMJALCMTASP-ZDUSSCGKSA-N 1 2 356.342 0.977 20 5 FCBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000500291615 490499832 /nfs/dbraw/zinc/49/98/32/490499832.db2.gz XAGRUYLISUMCAM-ZDUSSCGKSA-N 1 2 364.402 0.740 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000548640636 490520967 /nfs/dbraw/zinc/52/09/67/490520967.db2.gz GBNZIYZTUXNLRU-NSHDSACASA-N 1 2 351.359 0.505 20 5 FCBDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000413966977 490526987 /nfs/dbraw/zinc/52/69/87/490526987.db2.gz NLCLUINUELEXAO-UHFFFAOYSA-N 1 2 364.402 0.552 20 5 FCBDLO Nc1nccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000548713125 490533719 /nfs/dbraw/zinc/53/37/19/490533719.db2.gz AHKRALUDZREUMW-UHFFFAOYSA-N 1 2 358.358 0.734 20 5 FCBDLO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCc1[nH]cc[nH+]1 ZINC000511429146 490594180 /nfs/dbraw/zinc/59/41/80/490594180.db2.gz DHZOKXDVCCUOPK-UHFFFAOYSA-N 1 2 353.360 0.303 20 5 FCBDLO O=C(CCNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000486664438 490658627 /nfs/dbraw/zinc/65/86/27/490658627.db2.gz LKURIDKXAZBXSV-UHFFFAOYSA-N 1 2 373.373 0.182 20 5 FCBDLO COC(=O)[C@]1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000502766492 490720374 /nfs/dbraw/zinc/72/03/74/490720374.db2.gz RKITZHCTTBCWGK-INIZCTEOSA-N 1 2 365.342 0.815 20 5 FCBDLO COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000487742714 490728438 /nfs/dbraw/zinc/72/84/38/490728438.db2.gz WNDXTMIKUOMFFL-CQSZACIVSA-N 1 2 360.326 0.795 20 5 FCBDLO CCOc1cc(N2CC[NH+](CCS(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000538935993 490758165 /nfs/dbraw/zinc/75/81/65/490758165.db2.gz ZEQGPPDLDBALQO-UHFFFAOYSA-N 1 2 358.420 0.404 20 5 FCBDLO Cc1c(CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000514723419 490784537 /nfs/dbraw/zinc/78/45/37/490784537.db2.gz MFSXVEYIKDYHKZ-UHFFFAOYSA-N 1 2 364.402 0.310 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517840079 490922873 /nfs/dbraw/zinc/92/28/73/490922873.db2.gz JSKSMKPLKLDPQP-GFCCVEGCSA-N 1 2 360.374 0.626 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517840079 490922874 /nfs/dbraw/zinc/92/28/74/490922874.db2.gz JSKSMKPLKLDPQP-GFCCVEGCSA-N 1 2 360.374 0.626 20 5 FCBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+](CCn2cncn2)CC1 ZINC000531152330 490943033 /nfs/dbraw/zinc/94/30/33/490943033.db2.gz AUAIPSCXQUYPDK-UHFFFAOYSA-N 1 2 374.357 0.373 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531489559 490960831 /nfs/dbraw/zinc/96/08/31/490960831.db2.gz POXKIYYFPBZKMP-GFCCVEGCSA-N 1 2 356.404 0.333 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560636660 491548024 /nfs/dbraw/zinc/54/80/24/491548024.db2.gz KKJUHMWLTPLUEC-LLVKDONJSA-N 1 2 351.359 0.915 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000560636660 491548025 /nfs/dbraw/zinc/54/80/25/491548025.db2.gz KKJUHMWLTPLUEC-LLVKDONJSA-N 1 2 351.359 0.915 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1C ZINC000579372024 491696715 /nfs/dbraw/zinc/69/67/15/491696715.db2.gz FTUJCYLVXCNOLX-SNVBAGLBSA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H]1C ZINC000579372024 491696716 /nfs/dbraw/zinc/69/67/16/491696716.db2.gz FTUJCYLVXCNOLX-SNVBAGLBSA-N 1 2 351.363 0.281 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000588867201 491750747 /nfs/dbraw/zinc/75/07/47/491750747.db2.gz LSMLOXJHWWMDEK-GFCCVEGCSA-N 1 2 371.415 0.185 20 5 FCBDLO CC(C)c1n[nH]c(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000590399184 491775513 /nfs/dbraw/zinc/77/55/13/491775513.db2.gz IBTZQYHHAIIVLV-UHFFFAOYSA-N 1 2 350.423 0.761 20 5 FCBDLO CC(C)c1[nH]nc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000590399184 491775515 /nfs/dbraw/zinc/77/55/15/491775515.db2.gz IBTZQYHHAIIVLV-UHFFFAOYSA-N 1 2 350.423 0.761 20 5 FCBDLO CC(C)c1[nH]nc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000590399184 491775517 /nfs/dbraw/zinc/77/55/17/491775517.db2.gz IBTZQYHHAIIVLV-UHFFFAOYSA-N 1 2 350.423 0.761 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000590556185 491779099 /nfs/dbraw/zinc/77/90/99/491779099.db2.gz ZKCJNPHELNTGBD-ZDUSSCGKSA-N 1 2 369.447 0.458 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590913 491780550 /nfs/dbraw/zinc/78/05/50/491780550.db2.gz LZBGDTTVTKYIJB-UHFFFAOYSA-N 1 2 361.395 0.731 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000581667213 491781906 /nfs/dbraw/zinc/78/19/06/491781906.db2.gz WKCMAVCSLVZVDV-UHFFFAOYSA-N 1 2 364.333 0.833 20 5 FCBDLO NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000582742085 491824901 /nfs/dbraw/zinc/82/49/01/491824901.db2.gz RYOJROTXGQWFFL-OLZOCXBDSA-N 1 2 354.388 0.063 20 5 FCBDLO NS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000582742085 491824902 /nfs/dbraw/zinc/82/49/02/491824902.db2.gz RYOJROTXGQWFFL-OLZOCXBDSA-N 1 2 354.388 0.063 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595156289 491891504 /nfs/dbraw/zinc/89/15/04/491891504.db2.gz VLOZKTAYXSNEEL-AWEZNQCLSA-N 1 2 362.386 0.775 20 5 FCBDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000595156345 491891600 /nfs/dbraw/zinc/89/16/00/491891600.db2.gz WQOAVFNIVYOCEI-AWEZNQCLSA-N 1 2 362.386 0.775 20 5 FCBDLO Cc1noc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595423836 491930549 /nfs/dbraw/zinc/93/05/49/491930549.db2.gz CJPZDAMVKBKFHA-GFCCVEGCSA-N 1 2 374.419 0.518 20 5 FCBDLO Cc1noc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595423836 491930550 /nfs/dbraw/zinc/93/05/50/491930550.db2.gz CJPZDAMVKBKFHA-GFCCVEGCSA-N 1 2 374.419 0.518 20 5 FCBDLO CCOc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)nn1 ZINC000595893534 491959964 /nfs/dbraw/zinc/95/99/64/491959964.db2.gz WYAPCXSLZHJXPP-UHFFFAOYSA-N 1 2 374.401 0.767 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC/C=C/CO)c([N+](=O)[O-])c2)CC1 ZINC000596422684 491985022 /nfs/dbraw/zinc/98/50/22/491985022.db2.gz VGTFXUVCVSSTCA-NSCUHMNNSA-N 1 2 370.431 0.491 20 5 FCBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000596507310 491987983 /nfs/dbraw/zinc/98/79/83/491987983.db2.gz WHBMQJMKWQMTAY-GFCCVEGCSA-N 1 2 365.394 0.584 20 5 FCBDLO Nc1nccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1[N+](=O)[O-] ZINC000597621406 492052372 /nfs/dbraw/zinc/05/23/72/492052372.db2.gz IWJJSNXKAVGROH-UHFFFAOYSA-N 1 2 361.362 0.871 20 5 FCBDLO Cc1n[nH]c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000604510685 492062643 /nfs/dbraw/zinc/06/26/43/492062643.db2.gz QMALLYYTWRJAFD-AWEZNQCLSA-N 1 2 355.420 0.564 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598587324 492105681 /nfs/dbraw/zinc/10/56/81/492105681.db2.gz PYUHZFNUPCPWQJ-UHFFFAOYSA-N 1 2 365.390 0.425 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598587324 492105684 /nfs/dbraw/zinc/10/56/84/492105684.db2.gz PYUHZFNUPCPWQJ-UHFFFAOYSA-N 1 2 365.390 0.425 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895987 492120679 /nfs/dbraw/zinc/12/06/79/492120679.db2.gz BVEJBOLULKTHIW-GFCCVEGCSA-N 1 2 365.390 0.553 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598895987 492120682 /nfs/dbraw/zinc/12/06/82/492120682.db2.gz BVEJBOLULKTHIW-GFCCVEGCSA-N 1 2 365.390 0.553 20 5 FCBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)n1 ZINC000599319872 492159987 /nfs/dbraw/zinc/15/99/87/492159987.db2.gz MULBLXFXDKIJLR-SNVBAGLBSA-N 1 2 372.407 0.100 20 5 FCBDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599444924 492173479 /nfs/dbraw/zinc/17/34/79/492173479.db2.gz OILFRXVLYULXHF-QGZVFWFLSA-N 1 2 369.385 0.861 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000609178109 492199806 /nfs/dbraw/zinc/19/98/06/492199806.db2.gz HORKLVDOZNARLL-CHWSQXEVSA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000609178109 492199809 /nfs/dbraw/zinc/19/98/09/492199809.db2.gz HORKLVDOZNARLL-CHWSQXEVSA-N 1 2 364.402 0.550 20 5 FCBDLO O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCCn1cc[nH+]c1 ZINC000609583257 492215365 /nfs/dbraw/zinc/21/53/65/492215365.db2.gz ZCPZPQBNNUESSJ-UHFFFAOYSA-N 1 2 371.353 0.984 20 5 FCBDLO C[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000610116625 492235300 /nfs/dbraw/zinc/23/53/00/492235300.db2.gz HZGWJDQKFLOWIE-GFCCVEGCSA-N 1 2 373.369 0.969 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610462586 492247547 /nfs/dbraw/zinc/24/75/47/492247547.db2.gz BIHUQCALJIBCSL-HNNXBMFYSA-N 1 2 362.386 0.857 20 5 FCBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N(CCO)CC[NH+]1CCOCC1 ZINC000611209364 492281540 /nfs/dbraw/zinc/28/15/40/492281540.db2.gz WNLKWGJQGOKRBI-UHFFFAOYSA-N 1 2 352.391 0.431 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254708 492283072 /nfs/dbraw/zinc/28/30/72/492283072.db2.gz KCXPQAMOKHXSLD-GFCCVEGCSA-N 1 2 371.415 0.880 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611254708 492283074 /nfs/dbraw/zinc/28/30/74/492283074.db2.gz KCXPQAMOKHXSLD-GFCCVEGCSA-N 1 2 371.415 0.880 20 5 FCBDLO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H](O)C[NH+]1CCOCC1 ZINC000611273058 492283297 /nfs/dbraw/zinc/28/32/97/492283297.db2.gz RWVNPCBGCTXCIT-AWEZNQCLSA-N 1 2 367.402 0.491 20 5 FCBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+](CCO)CCN1CCOCC1)OCCO2 ZINC000611262634 492283763 /nfs/dbraw/zinc/28/37/63/492283763.db2.gz QXINMNAMYUZNPC-UHFFFAOYSA-N 1 2 367.402 0.493 20 5 FCBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+](CCO)CCN1CCOCC1)OCCO2 ZINC000611262634 492283765 /nfs/dbraw/zinc/28/37/65/492283765.db2.gz QXINMNAMYUZNPC-UHFFFAOYSA-N 1 2 367.402 0.493 20 5 FCBDLO O=[N+]([O-])c1cc2c(cc1CN(CCO)CC[NH+]1CCOCC1)OCCO2 ZINC000611262634 492283767 /nfs/dbraw/zinc/28/37/67/492283767.db2.gz QXINMNAMYUZNPC-UHFFFAOYSA-N 1 2 367.402 0.493 20 5 FCBDLO CCCCNC(=O)CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000611550306 492290005 /nfs/dbraw/zinc/29/00/05/492290005.db2.gz CMDPACHDRSQRNS-UHFFFAOYSA-N 1 2 352.439 0.634 20 5 FCBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000442840926 534759077 /nfs/dbraw/zinc/75/90/77/534759077.db2.gz FKBNIAOPQCCTQG-MRXNPFEDSA-N 1 2 367.406 0.714 20 5 FCBDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000551044298 546533657 /nfs/dbraw/zinc/53/36/57/546533657.db2.gz NAARKUFOCJXOSE-UHFFFAOYSA-N 1 2 356.404 0.207 20 5 FCBDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000551044298 546533662 /nfs/dbraw/zinc/53/36/62/546533662.db2.gz NAARKUFOCJXOSE-UHFFFAOYSA-N 1 2 356.404 0.207 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000551532803 546536039 /nfs/dbraw/zinc/53/60/39/546536039.db2.gz YUVJNEVBQCXIGJ-UHFFFAOYSA-N 1 2 370.431 0.842 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000076963114 546543280 /nfs/dbraw/zinc/54/32/80/546543280.db2.gz FISRIOSFERCKNB-UHFFFAOYSA-N 1 2 353.354 0.210 20 5 FCBDLO CN(C)C(=O)COC1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000546755008 546888297 /nfs/dbraw/zinc/88/82/97/546888297.db2.gz AONTXJNTBQJOJL-CYBMUJFWSA-N 1 2 353.375 0.124 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592200954 546946168 /nfs/dbraw/zinc/94/61/68/546946168.db2.gz XFUQGZPUDAPLCK-FZMZJTMJSA-N 1 2 351.359 0.413 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592200954 546946169 /nfs/dbraw/zinc/94/61/69/546946169.db2.gz XFUQGZPUDAPLCK-FZMZJTMJSA-N 1 2 351.359 0.413 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592200956 546946264 /nfs/dbraw/zinc/94/62/64/546946264.db2.gz XFUQGZPUDAPLCK-SMDDNHRTSA-N 1 2 351.359 0.413 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592200956 546946267 /nfs/dbraw/zinc/94/62/67/546946267.db2.gz XFUQGZPUDAPLCK-SMDDNHRTSA-N 1 2 351.359 0.413 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193573 546946426 /nfs/dbraw/zinc/94/64/26/546946426.db2.gz BIRCKEFOGQPQSU-JTNHKYCSSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193573 546946429 /nfs/dbraw/zinc/94/64/29/546946429.db2.gz BIRCKEFOGQPQSU-JTNHKYCSSA-N 1 2 351.359 0.778 20 5 FCBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593651290 546986303 /nfs/dbraw/zinc/98/63/03/546986303.db2.gz CMWXMLZGBNNRMJ-OAHLLOKOSA-N 1 2 355.416 0.218 20 5 FCBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593651290 546986306 /nfs/dbraw/zinc/98/63/06/546986306.db2.gz CMWXMLZGBNNRMJ-OAHLLOKOSA-N 1 2 355.416 0.218 20 5 FCBDLO O=C(Nc1n[nH]cc1-c1nn[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000823290320 606533133 /nfs/dbraw/zinc/53/31/33/606533133.db2.gz WHRAEIODWGNKPJ-UHFFFAOYSA-N 1 2 366.301 0.936 20 5 FCBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896567002 665095233 /nfs/dbraw/zinc/09/52/33/665095233.db2.gz XVZMKTFMUOLDDH-ABAIWWIYSA-N 1 2 354.382 0.863 20 5 FCBDLO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896567002 665095234 /nfs/dbraw/zinc/09/52/34/665095234.db2.gz XVZMKTFMUOLDDH-ABAIWWIYSA-N 1 2 354.382 0.863 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000731648847 666828753 /nfs/dbraw/zinc/82/87/53/666828753.db2.gz JWBNBGFEHMGTRF-UHFFFAOYSA-N 1 2 373.406 0.973 20 5 FCBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000920011990 667216055 /nfs/dbraw/zinc/21/60/55/667216055.db2.gz YTRSOKHAXJIPFY-MFKMUULPSA-N 1 2 360.411 0.647 20 5 FCBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000920011990 667216058 /nfs/dbraw/zinc/21/60/58/667216058.db2.gz YTRSOKHAXJIPFY-MFKMUULPSA-N 1 2 360.411 0.647 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000755952371 667654721 /nfs/dbraw/zinc/65/47/21/667654721.db2.gz KBDNEDGMMYALGK-RUZDIDTESA-N 1 2 369.443 0.957 20 5 FCBDLO CN(C)c1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ns1 ZINC001034642988 667762164 /nfs/dbraw/zinc/76/21/64/667762164.db2.gz ISBNUOAVRVGPTD-DDHJBXDOSA-N 1 2 368.463 0.786 20 5 FCBDLO CCn1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000838913091 667961885 /nfs/dbraw/zinc/96/18/85/667961885.db2.gz OIGZNHAQDVOGDK-UHFFFAOYSA-N 1 2 354.392 0.274 20 5 FCBDLO NS(=O)(=O)c1ccc(NCC(=O)OCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000771898433 668281771 /nfs/dbraw/zinc/28/17/71/668281771.db2.gz YOFFGCNDAKMEOU-UHFFFAOYSA-N 1 2 369.359 0.094 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000788603292 668834464 /nfs/dbraw/zinc/83/44/64/668834464.db2.gz FEKVEUYUMFQVAL-GXFFZTMASA-N 1 2 355.322 0.671 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000788603292 668834466 /nfs/dbraw/zinc/83/44/66/668834466.db2.gz FEKVEUYUMFQVAL-GXFFZTMASA-N 1 2 355.322 0.671 20 5 FCBDLO Nc1cc(COC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000792309264 668902558 /nfs/dbraw/zinc/90/25/58/668902558.db2.gz YBSBJPBOQZWKGU-UHFFFAOYSA-N 1 2 352.328 0.576 20 5 FCBDLO CCn1nc(C)c(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000823716717 669357421 /nfs/dbraw/zinc/35/74/21/669357421.db2.gz PFEHFKPUUUXZQL-UHFFFAOYSA-N 1 2 368.419 0.583 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823981505 669368091 /nfs/dbraw/zinc/36/80/91/669368091.db2.gz YVWRSBHMJPEEPS-LBPRGKRZSA-N 1 2 353.379 0.334 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166516 670642981 /nfs/dbraw/zinc/64/29/81/670642981.db2.gz PUBLIEQFFYSUEE-KGLIPLIRSA-N 1 2 351.359 0.382 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166516 670642984 /nfs/dbraw/zinc/64/29/84/670642984.db2.gz PUBLIEQFFYSUEE-KGLIPLIRSA-N 1 2 351.359 0.382 20 5 FCBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000843816143 670859726 /nfs/dbraw/zinc/85/97/26/670859726.db2.gz BVVFZEUBNCXSHS-GFCCVEGCSA-N 1 2 355.366 0.807 20 5 FCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585503 671284669 /nfs/dbraw/zinc/28/46/69/671284669.db2.gz MPVSHLHAELRTRC-LBPRGKRZSA-N 1 2 356.329 0.682 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000988539356 1192268048 /nfs/dbraw/zinc/26/80/48/1192268048.db2.gz RBDJNAWKYNOHHI-HUUCEWRRSA-N 1 2 363.418 0.554 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778440 1182825241 /nfs/dbraw/zinc/82/52/41/1182825241.db2.gz TWDYOLXGTXHYPJ-SSZWKKLZSA-N 1 2 369.381 0.948 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4)o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778440 1182825245 /nfs/dbraw/zinc/82/52/45/1182825245.db2.gz TWDYOLXGTXHYPJ-SSZWKKLZSA-N 1 2 369.381 0.948 20 5 FCBDLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH+]1 ZINC000979751543 1186115775 /nfs/dbraw/zinc/11/57/75/1186115775.db2.gz XSOPWAYKSHJLET-AAVRWANBSA-N 1 2 363.418 0.603 20 5 FCBDLO C[N@@H+](Cc1nnnn1C1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964274 1191036890 /nfs/dbraw/zinc/03/68/90/1191036890.db2.gz COQSQZPNWMLZSJ-ZIAGYGMSSA-N 1 2 363.422 0.344 20 5 FCBDLO C[N@H+](Cc1nnnn1C1CC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964274 1191036895 /nfs/dbraw/zinc/03/68/95/1191036895.db2.gz COQSQZPNWMLZSJ-ZIAGYGMSSA-N 1 2 363.422 0.344 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592200960 1196560622 /nfs/dbraw/zinc/56/06/22/1196560622.db2.gz XFVHLGQOMIIZQO-TZMCWYRMSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592200960 1196560624 /nfs/dbraw/zinc/56/06/24/1196560624.db2.gz XFVHLGQOMIIZQO-TZMCWYRMSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000592929347 1196741950 /nfs/dbraw/zinc/74/19/50/1196741950.db2.gz NMZYOJHGKALEQB-CHWSQXEVSA-N 1 2 374.353 0.777 20 5 FCBDLO CN(Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC001060494524 1197778271 /nfs/dbraw/zinc/77/82/71/1197778271.db2.gz BZXRCACOEJHCFR-HZPDHXFCSA-N 1 2 371.397 0.823 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000914862934 1197875639 /nfs/dbraw/zinc/87/56/39/1197875639.db2.gz XCCIAEHTRMGESK-SNVBAGLBSA-N 1 2 360.374 0.920 20 5 FCBDLO COC(=O)COc1c(C)cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC001169135963 1199048163 /nfs/dbraw/zinc/04/81/63/1199048163.db2.gz CPJOYLBRIAVJEN-NEPJUHHUSA-N 1 2 367.358 0.770 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000771185351 1200540427 /nfs/dbraw/zinc/54/04/27/1200540427.db2.gz GCFZIJKDDZTBFT-NSHDSACASA-N 1 2 365.342 0.767 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000807281340 1202816870 /nfs/dbraw/zinc/81/68/70/1202816870.db2.gz RKKHUBXUVSXDIF-SNVBAGLBSA-N 1 2 362.298 0.492 20 5 FCBDLO Cc1nnc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)o1 ZINC000949092353 1212289160 /nfs/dbraw/zinc/28/91/60/1212289160.db2.gz VZAAMXNZDWSOKR-CHWSQXEVSA-N 1 2 365.390 0.237 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000954241794 1213051054 /nfs/dbraw/zinc/05/10/54/1213051054.db2.gz LKVNFRKDLCHUEL-ZIAGYGMSSA-N 1 2 361.402 0.096 20 5 FCBDLO O=C(Cc1c[nH+]c[nH]1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000959732731 1213522344 /nfs/dbraw/zinc/52/23/44/1213522344.db2.gz PBXWPPHFAKQBJP-COWZWYNKSA-N 1 2 361.402 0.503 20 5 FCBDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010764432 1213813899 /nfs/dbraw/zinc/81/38/99/1213813899.db2.gz SPDIBLHJTONGAH-TZMCWYRMSA-N 1 2 361.402 0.377 20 5 FCBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139075 1214312262 /nfs/dbraw/zinc/31/22/62/1214312262.db2.gz POMIPVUSPYBBNP-QHSBEEBCSA-N 1 2 356.386 0.669 20 5 FCBDLO O=C(NCC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400010 1216188266 /nfs/dbraw/zinc/18/82/66/1216188266.db2.gz PICSBSYTYZXQJZ-HZPDHXFCSA-N 1 2 362.434 0.682 20 5 FCBDLO Cn1nncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001001525698 1216234725 /nfs/dbraw/zinc/23/47/25/1216234725.db2.gz YPMCKXYMFNMDTP-UKRRQHHQSA-N 1 2 362.365 0.525 20 5 FCBDLO CCCn1ncnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050516754 1216328310 /nfs/dbraw/zinc/32/83/10/1216328310.db2.gz ISQKIRQQVLMMDZ-ZIAGYGMSSA-N 1 2 362.434 0.778 20 5 FCBDLO CN(C)c1noc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)n1 ZINC001050517411 1216328630 /nfs/dbraw/zinc/32/86/30/1216328630.db2.gz SRZBPCARYLBEPT-VXGBXAGGSA-N 1 2 364.406 0.225 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000748460957 1218749550 /nfs/dbraw/zinc/74/95/50/1218749550.db2.gz SYQHZCXVHKTIMV-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000748460957 1218749553 /nfs/dbraw/zinc/74/95/53/1218749553.db2.gz SYQHZCXVHKTIMV-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO CN(C)C(=O)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230756728 1226087274 /nfs/dbraw/zinc/08/72/74/1226087274.db2.gz HBYKEGFYNAGQCC-HUUCEWRRSA-N 1 2 363.418 0.143 20 5 FCBDLO CN(C)C(=O)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1 ZINC001230756728 1226087282 /nfs/dbraw/zinc/08/72/82/1226087282.db2.gz HBYKEGFYNAGQCC-HUUCEWRRSA-N 1 2 363.418 0.143 20 5 FCBDLO O=C(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC1 ZINC000835140342 1222598171 /nfs/dbraw/zinc/59/81/71/1222598171.db2.gz AZZLUHNJOWFBGA-UHFFFAOYSA-N 1 2 360.326 0.796 20 5 FCBDLO C[NH+]1CCN(c2ccnc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)CC1 ZINC001151290332 1222921384 /nfs/dbraw/zinc/92/13/84/1222921384.db2.gz NAPREXQUBICUIR-UHFFFAOYSA-N 1 2 372.385 0.542 20 5 FCBDLO COCCc1noc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001164491073 1223239249 /nfs/dbraw/zinc/23/92/49/1223239249.db2.gz ZTWHBYWJRPHHPX-VXGBXAGGSA-N 1 2 367.406 0.300 20 5 FCBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000849195680 1245394188 /nfs/dbraw/zinc/39/41/88/1245394188.db2.gz XEKGEETUOBOLBM-UHFFFAOYSA-N 1 2 360.326 0.796 20 5 FCBDLO Cc1c[nH+]cn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944982536 1247701555 /nfs/dbraw/zinc/70/15/55/1247701555.db2.gz UFYUHDQHBDDOSK-ZIAGYGMSSA-N 1 2 361.402 0.308 20 5 FCBDLO CCn1ncc(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)n1 ZINC001035186964 1254017955 /nfs/dbraw/zinc/01/79/55/1254017955.db2.gz NULSQTIVBRKJBI-HUUCEWRRSA-N 1 2 362.434 0.778 20 5 FCBDLO 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O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001323353570 1264408009 /nfs/dbraw/zinc/40/80/09/1264408009.db2.gz FHIHYZGWSXKHHC-ZDUSSCGKSA-N 1 2 357.370 0.581 20 5 FCBDLO COC(=O)CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001325181792 1264797195 /nfs/dbraw/zinc/79/71/95/1264797195.db2.gz WCZCWEIBVOHZCZ-UHFFFAOYSA-N 1 2 361.358 0.615 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001325514169 1264914664 /nfs/dbraw/zinc/91/46/64/1264914664.db2.gz ASFCDCIRVJKEDW-GFCCVEGCSA-N 1 2 373.369 0.547 20 5 FCBDLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001579184965 1276953452 /nfs/dbraw/zinc/95/34/52/1276953452.db2.gz RNFFQSXSHQSFJQ-UHFFFAOYSA-N 1 2 371.361 0.293 20 5 FCBDLO CC(=O)N1CC[NH+](CCNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001588823496 1282709132 /nfs/dbraw/zinc/70/91/32/1282709132.db2.gz QSHBQWAHUBRHCP-UHFFFAOYSA-N 1 2 360.378 0.351 20 5 FCBDLO C[C@@](Cn1cccn1)([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C(N)=O ZINC001589904297 1283117293 /nfs/dbraw/zinc/11/72/93/1283117293.db2.gz LHWQLIGTWIVZQE-HNNXBMFYSA-N 1 2 371.361 0.005 20 5 FCBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001593414533 1286137659 /nfs/dbraw/zinc/13/76/59/1286137659.db2.gz JLNZATLGFFIDSS-CQSZACIVSA-N 1 2 373.373 0.967 20 5 FCBDLO O=C1OCC[C@@H]1[NH+]1CCC(Nc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001593414923 1286138843 /nfs/dbraw/zinc/13/88/43/1286138843.db2.gz PGELRPQVIHKDMF-AWEZNQCLSA-N 1 2 373.373 0.967 20 5 FCBDLO Cn1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)CC2)cn1 ZINC001609479142 1289172631 /nfs/dbraw/zinc/17/26/31/1289172631.db2.gz QXBWTETTXYTWGZ-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001607077996 1288650383 /nfs/dbraw/zinc/65/03/83/1288650383.db2.gz XJNPPFMVZMXBHE-ZDUSSCGKSA-N 1 2 373.417 0.929 20 5 FCBDLO O=[N+]([O-])c1cn(Cc2ccc(C[NH+]3CCOCC3)cc2)nc1-c1nn[nH]n1 ZINC001607086933 1288654319 /nfs/dbraw/zinc/65/43/19/1288654319.db2.gz VBDJJOYUGOANBS-UHFFFAOYSA-N 1 2 370.373 0.852 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609156204 1288954804 /nfs/dbraw/zinc/95/48/04/1288954804.db2.gz DIJVWPWOFAKZOR-QWRGUYRKSA-N 1 2 360.378 0.469 20 5 FCBDLO CN(CC[N@H+](C)CC(=O)N(C1CC1)C1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699002172 1289542428 /nfs/dbraw/zinc/54/24/28/1289542428.db2.gz RACJPZWLHRZGCW-HZPDHXFCSA-N 1 2 366.462 0.975 20 5 FCBDLO CN(CC[N@@H+](C)CC(=O)N(C1CC1)C1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699002172 1289542433 /nfs/dbraw/zinc/54/24/33/1289542433.db2.gz RACJPZWLHRZGCW-HZPDHXFCSA-N 1 2 366.462 0.975 20 5 FCBDLO CN(CC(F)(F)F)C(=O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001753154607 1290622589 /nfs/dbraw/zinc/62/25/89/1290622589.db2.gz JXKSNMQTOVHCIW-GHMZBOCLSA-N 1 2 366.340 0.253 20 5 FCBDLO CN(CC(F)(F)F)C(=O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001753154607 1290622601 /nfs/dbraw/zinc/62/26/01/1290622601.db2.gz JXKSNMQTOVHCIW-GHMZBOCLSA-N 1 2 366.340 0.253 20 5 FCBDLO O=C(NC1(CO)CC[NH+](Cc2cc(C3CC3)no2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755177508 1290640181 /nfs/dbraw/zinc/64/01/81/1290640181.db2.gz SEGRBUCVVUUAME-UKRRQHHQSA-N 1 2 364.402 0.660 20 5 FCBDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(C1CC1)C1CC1 ZINC001690513290 1294869290 /nfs/dbraw/zinc/86/92/90/1294869290.db2.gz DRTZJWSTVPHDHM-MPZWGZMNSA-N 1 2 362.430 0.003 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(C1CC1)C1CC1 ZINC001690513290 1294869303 /nfs/dbraw/zinc/86/93/03/1294869303.db2.gz DRTZJWSTVPHDHM-MPZWGZMNSA-N 1 2 362.430 0.003 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746467342 836184098 /nfs/dbraw/zinc/18/40/98/836184098.db2.gz AVSWOJBMALWSFH-BZQUYTCOSA-N 1 2 371.459 0.331 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000746471241 836185626 /nfs/dbraw/zinc/18/56/26/836185626.db2.gz YUQRXWGJRGAQKH-DEOSSOPVSA-N 1 2 354.432 0.529 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746474770 836186354 /nfs/dbraw/zinc/18/63/54/836186354.db2.gz OYSRLWCMNLHAGN-YMXBGEKHSA-N 1 2 368.459 0.918 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000748455301 836307404 /nfs/dbraw/zinc/30/74/04/836307404.db2.gz GMRUAZTYVFVSSQ-CYBMUJFWSA-N 1 2 355.322 0.936 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000748455301 836307417 /nfs/dbraw/zinc/30/74/17/836307417.db2.gz GMRUAZTYVFVSSQ-CYBMUJFWSA-N 1 2 355.322 0.936 20 5 FCBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000751232768 836473028 /nfs/dbraw/zinc/47/30/28/836473028.db2.gz CFMWOZNESLMYST-ZDUSSCGKSA-N 1 2 352.391 0.084 20 5 FCBDLO 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CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC001326275361 870237531 /nfs/dbraw/zinc/23/75/31/870237531.db2.gz KFOVXGLBQAUSQU-LBPRGKRZSA-N 1 2 353.379 0.162 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001328489836 871459256 /nfs/dbraw/zinc/45/92/56/871459256.db2.gz FOCZFJZKBOHYEV-CYBMUJFWSA-N 1 2 355.322 0.476 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(SCC(N)=O)c([N+](=O)[O-])c2)CC1 ZINC000413597795 529775594 /nfs/dbraw/zinc/77/55/94/529775594.db2.gz BBHVVDDHHZPHPR-UHFFFAOYSA-N 1 2 374.444 0.108 20 5 FCBDLO Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000173471410 529917448 /nfs/dbraw/zinc/91/74/48/529917448.db2.gz IDJHCNQXNMHYHT-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000173471410 529917449 /nfs/dbraw/zinc/91/74/49/529917449.db2.gz IDJHCNQXNMHYHT-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000265504565 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COc1c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000476276834 489878503 /nfs/dbraw/zinc/87/85/03/489878503.db2.gz YIJZGNLMKOUJNR-LBPRGKRZSA-N 1 2 353.375 0.369 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494720934 489908289 /nfs/dbraw/zinc/90/82/89/489908289.db2.gz QTZGACFGLYUGPD-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494720934 489908293 /nfs/dbraw/zinc/90/82/93/489908293.db2.gz QTZGACFGLYUGPD-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377643280 489936502 /nfs/dbraw/zinc/93/65/02/489936502.db2.gz DAQKANWIMIZBIO-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377643280 489936503 /nfs/dbraw/zinc/93/65/03/489936503.db2.gz DAQKANWIMIZBIO-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420583176 489998720 /nfs/dbraw/zinc/99/87/20/489998720.db2.gz KHKJONFBIUNKKA-UHFFFAOYSA-N 1 2 363.418 0.684 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436607288 490009600 /nfs/dbraw/zinc/00/96/00/490009600.db2.gz OPBYERRPZFBSCK-LLVKDONJSA-N 1 2 351.359 0.915 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436607288 490009604 /nfs/dbraw/zinc/00/96/04/490009604.db2.gz OPBYERRPZFBSCK-LLVKDONJSA-N 1 2 351.359 0.915 20 5 FCBDLO CN(C(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420969529 490035443 /nfs/dbraw/zinc/03/54/43/490035443.db2.gz CIVCYIJYJGBSFI-UHFFFAOYSA-N 1 2 370.431 0.426 20 5 FCBDLO CN(C(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420969529 490035446 /nfs/dbraw/zinc/03/54/46/490035446.db2.gz CIVCYIJYJGBSFI-UHFFFAOYSA-N 1 2 370.431 0.426 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000496970769 490131311 /nfs/dbraw/zinc/13/13/11/490131311.db2.gz HJUNIJWPFREBPB-VIFPVBQESA-N 1 2 350.335 0.679 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000496970769 490131318 /nfs/dbraw/zinc/13/13/18/490131318.db2.gz HJUNIJWPFREBPB-VIFPVBQESA-N 1 2 350.335 0.679 20 5 FCBDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466267966 490174045 /nfs/dbraw/zinc/17/40/45/490174045.db2.gz UEQLOTHYULQPFS-UHFFFAOYSA-N 1 2 363.349 1.515 20 5 FCBDLO O=C1C[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)N1c1cnccn1 ZINC000447163428 490194567 /nfs/dbraw/zinc/19/45/67/490194567.db2.gz RUGDGDPZJJDHIU-LBPRGKRZSA-N 1 2 371.357 0.550 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447815761 490277810 /nfs/dbraw/zinc/27/78/10/490277810.db2.gz HGYZLUWDNSKBHC-CYBMUJFWSA-N 1 2 370.431 0.294 20 5 FCBDLO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000448896509 490383978 /nfs/dbraw/zinc/38/39/78/490383978.db2.gz GSGNOBJQHAUZEJ-CQSZACIVSA-N 1 2 360.326 0.795 20 5 FCBDLO NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000450118989 490444870 /nfs/dbraw/zinc/44/48/70/490444870.db2.gz WQUKOANOVUYMJD-SMDDNHRTSA-N 1 2 359.342 0.543 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000411390173 490446521 /nfs/dbraw/zinc/44/65/21/490446521.db2.gz OEDZDYHZRBHQSR-CYBMUJFWSA-N 1 2 364.402 0.675 20 5 FCBDLO Cn1cc([C@@H](CO)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000535544058 490497512 /nfs/dbraw/zinc/49/75/12/490497512.db2.gz ZSRUMJALCMTASP-CYBMUJFWSA-N 1 2 356.342 0.977 20 5 FCBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000500291614 490500126 /nfs/dbraw/zinc/50/01/26/490500126.db2.gz XAGRUYLISUMCAM-CYBMUJFWSA-N 1 2 364.402 0.740 20 5 FCBDLO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CCN(C)CC1 ZINC000524572341 490544871 /nfs/dbraw/zinc/54/48/71/490544871.db2.gz UVKPRKODKFKSMB-UONOGXRCSA-N 1 2 362.434 0.639 20 5 FCBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000524825187 490563554 /nfs/dbraw/zinc/56/35/54/490563554.db2.gz VLXWNGCHVDUBTM-UHFFFAOYSA-N 1 2 360.374 0.410 20 5 FCBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000511322717 490580413 /nfs/dbraw/zinc/58/04/13/490580413.db2.gz SEQXLMFLJHSOBP-CYBMUJFWSA-N 1 2 359.321 0.965 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503277191 490749533 /nfs/dbraw/zinc/74/95/33/490749533.db2.gz VBSYUYGNKHMTFC-UHFFFAOYSA-N 1 2 372.385 0.909 20 5 FCBDLO CCOC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000541627500 490867691 /nfs/dbraw/zinc/86/76/91/490867691.db2.gz ZULFUYWELWIKJP-WFASDCNBSA-N 1 2 353.375 0.704 20 5 FCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000516841019 490880180 /nfs/dbraw/zinc/88/01/80/490880180.db2.gz RLBPBGHPZSUDJM-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000516841019 490880182 /nfs/dbraw/zinc/88/01/82/490880182.db2.gz RLBPBGHPZSUDJM-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000517560230 490912062 /nfs/dbraw/zinc/91/20/62/490912062.db2.gz ZOTKWFIFQZZXBH-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000517560230 490912064 /nfs/dbraw/zinc/91/20/64/490912064.db2.gz ZOTKWFIFQZZXBH-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530717981 490920855 /nfs/dbraw/zinc/92/08/55/490920855.db2.gz IDWLLGGIWVWTPO-NSHDSACASA-N 1 2 363.374 0.373 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531439166 490958218 /nfs/dbraw/zinc/95/82/18/490958218.db2.gz IJUOUCYFWVRULL-HNNXBMFYSA-N 1 2 352.391 0.429 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCO1 ZINC000531657487 490970379 /nfs/dbraw/zinc/97/03/79/490970379.db2.gz XGHNMSDTDVLDPD-LBPRGKRZSA-N 1 2 372.447 0.978 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCO1 ZINC000531657487 490970381 /nfs/dbraw/zinc/97/03/81/490970381.db2.gz XGHNMSDTDVLDPD-LBPRGKRZSA-N 1 2 372.447 0.978 20 5 FCBDLO CNc1nccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000557490964 491377217 /nfs/dbraw/zinc/37/72/17/491377217.db2.gz AQIPPEHOTOCBPX-UHFFFAOYSA-N 1 2 372.385 1.193 20 5 FCBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000558044300 491410518 /nfs/dbraw/zinc/41/05/18/491410518.db2.gz ZWCOEXLVWRWACP-UHFFFAOYSA-N 1 2 358.362 0.450 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000573518605 491438234 /nfs/dbraw/zinc/43/82/34/491438234.db2.gz IJPFCNSTGBDVSY-UHFFFAOYSA-N 1 2 357.370 0.855 20 5 FCBDLO NC(=O)c1ccnc(NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000577032411 491582675 /nfs/dbraw/zinc/58/26/75/491582675.db2.gz NSBYOOJZQDONBO-UHFFFAOYSA-N 1 2 372.389 0.113 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3COCCO3)CC2)c1 ZINC000576199080 491592158 /nfs/dbraw/zinc/59/21/58/491592158.db2.gz LRXROXWGFUVHTQ-AWEZNQCLSA-N 1 2 371.415 0.317 20 5 FCBDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000576921936 491656521 /nfs/dbraw/zinc/65/65/21/491656521.db2.gz IISPQLWTAVWDRT-GFCCVEGCSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000576921936 491656524 /nfs/dbraw/zinc/65/65/24/491656524.db2.gz IISPQLWTAVWDRT-GFCCVEGCSA-N 1 2 350.375 0.679 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000577889959 491660736 /nfs/dbraw/zinc/66/07/36/491660736.db2.gz OKSVHPPHSLOQOP-UHFFFAOYSA-N 1 2 364.402 0.310 20 5 FCBDLO CNc1nccc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c1[N+](=O)[O-] ZINC000578142520 491670848 /nfs/dbraw/zinc/67/08/48/491670848.db2.gz NAXZGXBYNAGVQH-LLVKDONJSA-N 1 2 374.401 0.816 20 5 FCBDLO CNc1nccc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000581676496 491782382 /nfs/dbraw/zinc/78/23/82/491782382.db2.gz ZEWKQPISYFOOPL-LLVKDONJSA-N 1 2 365.390 0.741 20 5 FCBDLO CNc1nccc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1[N+](=O)[O-] ZINC000581676496 491782383 /nfs/dbraw/zinc/78/23/83/491782383.db2.gz ZEWKQPISYFOOPL-LLVKDONJSA-N 1 2 365.390 0.741 20 5 FCBDLO CCOc1ccc(NC(=O)C[NH2+][C@]2(C(N)=O)CCOC2)c([N+](=O)[O-])c1 ZINC000582129763 491799448 /nfs/dbraw/zinc/79/94/48/491799448.db2.gz BMTHQJQGOYQPQY-OAHLLOKOSA-N 1 2 352.347 0.166 20 5 FCBDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000582192399 491802100 /nfs/dbraw/zinc/80/21/00/491802100.db2.gz IPIVDFPJKVNDTB-UHFFFAOYSA-N 1 2 372.385 0.625 20 5 FCBDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000582192399 491802102 /nfs/dbraw/zinc/80/21/02/491802102.db2.gz IPIVDFPJKVNDTB-UHFFFAOYSA-N 1 2 372.385 0.625 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000582720611 491823834 /nfs/dbraw/zinc/82/38/34/491823834.db2.gz YSJHYPWWFIMNQL-UHFFFAOYSA-N 1 2 351.388 0.696 20 5 FCBDLO NC(=O)c1ccnc(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000583056318 491837179 /nfs/dbraw/zinc/83/71/79/491837179.db2.gz JBJJNFPBAKOKCH-UHFFFAOYSA-N 1 2 358.358 0.932 20 5 FCBDLO Cc1c(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000595156286 491891216 /nfs/dbraw/zinc/89/12/16/491891216.db2.gz UWRWJPGSCXZBMU-ZDUSSCGKSA-N 1 2 362.386 0.775 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000595731209 491950900 /nfs/dbraw/zinc/95/09/00/491950900.db2.gz BOJLEJGPIPTWKX-LLVKDONJSA-N 1 2 353.375 0.750 20 5 FCBDLO NC(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000597641691 492055576 /nfs/dbraw/zinc/05/55/76/492055576.db2.gz HUPCKFAIBRFOOX-LLVKDONJSA-N 1 2 358.358 0.911 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614854115 492060154 /nfs/dbraw/zinc/06/01/54/492060154.db2.gz QVEDZPKVHSGXLH-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614854115 492060156 /nfs/dbraw/zinc/06/01/56/492060156.db2.gz QVEDZPKVHSGXLH-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615506831 492092877 /nfs/dbraw/zinc/09/28/77/492092877.db2.gz FJYOGEJLHFIODT-LLVKDONJSA-N 1 2 357.388 0.619 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000615506831 492092878 /nfs/dbraw/zinc/09/28/78/492092878.db2.gz FJYOGEJLHFIODT-LLVKDONJSA-N 1 2 357.388 0.619 20 5 FCBDLO CC1(C)C[N@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 ZINC000598596013 492106724 /nfs/dbraw/zinc/10/67/24/492106724.db2.gz PYGDVGCOMVWKAP-UHFFFAOYSA-N 1 2 366.422 0.744 20 5 FCBDLO CC1(C)C[N@@H+](CCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCO1 ZINC000598596013 492106726 /nfs/dbraw/zinc/10/67/26/492106726.db2.gz PYGDVGCOMVWKAP-UHFFFAOYSA-N 1 2 366.422 0.744 20 5 FCBDLO CN1CC[N@H+](C)[C@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598898009 492121186 /nfs/dbraw/zinc/12/11/86/492121186.db2.gz NVGKFCXFJASAEC-CQSZACIVSA-N 1 2 364.406 0.078 20 5 FCBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598898009 492121188 /nfs/dbraw/zinc/12/11/88/492121188.db2.gz NVGKFCXFJASAEC-CQSZACIVSA-N 1 2 364.406 0.078 20 5 FCBDLO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CC[NH+](CCO)CC1 ZINC000599041012 492132410 /nfs/dbraw/zinc/13/24/10/492132410.db2.gz QBBWIXRBLZXKMU-UHFFFAOYSA-N 1 2 363.349 0.670 20 5 FCBDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000599131844 492137628 /nfs/dbraw/zinc/13/76/28/492137628.db2.gz VPNBQLCRDMYASJ-MRXNPFEDSA-N 1 2 365.390 0.116 20 5 FCBDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000599131844 492137630 /nfs/dbraw/zinc/13/76/30/492137630.db2.gz VPNBQLCRDMYASJ-MRXNPFEDSA-N 1 2 365.390 0.116 20 5 FCBDLO Cn1c(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000609577755 492214744 /nfs/dbraw/zinc/21/47/44/492214744.db2.gz SMTJAYFNTQDOEE-UHFFFAOYSA-N 1 2 363.418 0.607 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000609709140 492219965 /nfs/dbraw/zinc/21/99/65/492219965.db2.gz CATNIMWHLLKSOM-UKRRQHHQSA-N 1 2 373.406 0.321 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000619497887 492266513 /nfs/dbraw/zinc/26/65/13/492266513.db2.gz DKBONSAEWFRNFU-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000619497887 492266515 /nfs/dbraw/zinc/26/65/15/492266515.db2.gz DKBONSAEWFRNFU-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000610899002 492267168 /nfs/dbraw/zinc/26/71/68/492267168.db2.gz WNTUWBLHJUFNPJ-GXFFZTMASA-N 1 2 359.404 0.601 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000610899002 492267169 /nfs/dbraw/zinc/26/71/69/492267169.db2.gz WNTUWBLHJUFNPJ-GXFFZTMASA-N 1 2 359.404 0.601 20 5 FCBDLO CS(=O)(=O)N1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253652 492283134 /nfs/dbraw/zinc/28/31/34/492283134.db2.gz NXEZTPUNEZNOBV-UHFFFAOYSA-N 1 2 371.415 0.833 20 5 FCBDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253652 492283135 /nfs/dbraw/zinc/28/31/35/492283135.db2.gz NXEZTPUNEZNOBV-UHFFFAOYSA-N 1 2 371.415 0.833 20 5 FCBDLO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174657912 534745612 /nfs/dbraw/zinc/74/56/12/534745612.db2.gz NBEBIQUJZLIJOS-INIZCTEOSA-N 1 2 359.386 0.610 20 5 FCBDLO CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)[NH+]1CCOCC1 ZINC000195043869 527111532 /nfs/dbraw/zinc/11/15/32/527111532.db2.gz LWLPQRXPRKXYPY-UHFFFAOYSA-N 1 2 351.407 0.896 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000592200539 546946112 /nfs/dbraw/zinc/94/61/12/546946112.db2.gz SVXRYRMJNLOKTG-RYUDHWBXSA-N 1 2 351.359 0.698 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000592200539 546946113 /nfs/dbraw/zinc/94/61/13/546946113.db2.gz SVXRYRMJNLOKTG-RYUDHWBXSA-N 1 2 351.359 0.698 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000552168905 547324563 /nfs/dbraw/zinc/32/45/63/547324563.db2.gz VEYUAJSDDCWGSR-SNVBAGLBSA-N 1 2 352.347 0.310 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000552168905 547324565 /nfs/dbraw/zinc/32/45/65/547324565.db2.gz VEYUAJSDDCWGSR-SNVBAGLBSA-N 1 2 352.347 0.310 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000552168904 547324646 /nfs/dbraw/zinc/32/46/46/547324646.db2.gz VEYUAJSDDCWGSR-JTQLQIEISA-N 1 2 352.347 0.310 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000552168904 547324650 /nfs/dbraw/zinc/32/46/50/547324650.db2.gz VEYUAJSDDCWGSR-JTQLQIEISA-N 1 2 352.347 0.310 20 5 FCBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000553401521 547329874 /nfs/dbraw/zinc/32/98/74/547329874.db2.gz OAXMLGBQIYMUIG-QWHCGFSZSA-N 1 2 351.407 0.848 20 5 FCBDLO CN(C(=O)c1occc1C[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000955135485 674509468 /nfs/dbraw/zinc/50/94/68/674509468.db2.gz AHIANWAJSRYFDB-CHWSQXEVSA-N 1 2 350.375 0.289 20 5 FCBDLO C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000820776684 606715961 /nfs/dbraw/zinc/71/59/61/606715961.db2.gz MIGVSGWLJRZBIR-JQWIXIFHSA-N 1 2 360.378 0.327 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000897234217 665153937 /nfs/dbraw/zinc/15/39/37/665153937.db2.gz FWYTYBLQZWYLBE-CQSZACIVSA-N 1 2 351.403 0.977 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000731651198 666829047 /nfs/dbraw/zinc/82/90/47/666829047.db2.gz YDTTWHASJSZOMS-UHFFFAOYSA-N 1 2 361.445 0.895 20 5 FCBDLO COc1ccc(OCCN2CC[NH+](CC[S@@](C)=O)CC2)c([N+](=O)[O-])c1 ZINC000755957407 667655294 /nfs/dbraw/zinc/65/52/94/667655294.db2.gz WSLKDJHEHRJUSY-RUZDIDTESA-N 1 2 371.459 0.978 20 5 FCBDLO CN(C(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)C1CC1 ZINC001035704258 667789616 /nfs/dbraw/zinc/78/96/16/667789616.db2.gz ICPXOMYIAXQJCR-ZIAGYGMSSA-N 1 2 350.419 0.197 20 5 FCBDLO Nc1nsc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776590438 668275696 /nfs/dbraw/zinc/27/56/96/668275696.db2.gz DVFSFODUWSPADF-GFCCVEGCSA-N 1 2 350.404 0.884 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000787211225 668790780 /nfs/dbraw/zinc/79/07/80/668790780.db2.gz HIGVCLWFRQDDDV-NSHDSACASA-N 1 2 350.375 0.886 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000787211225 668790783 /nfs/dbraw/zinc/79/07/83/668790783.db2.gz HIGVCLWFRQDDDV-NSHDSACASA-N 1 2 350.375 0.886 20 5 FCBDLO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793570425 668934007 /nfs/dbraw/zinc/93/40/07/668934007.db2.gz VLYWBUOTGFVXRD-CYBMUJFWSA-N 1 2 353.404 0.868 20 5 FCBDLO C[N@@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793570425 668934011 /nfs/dbraw/zinc/93/40/11/668934011.db2.gz VLYWBUOTGFVXRD-CYBMUJFWSA-N 1 2 353.404 0.868 20 5 FCBDLO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000822437885 669267956 /nfs/dbraw/zinc/26/79/56/669267956.db2.gz QNGAIZFKFLGHCJ-UHFFFAOYSA-N 1 2 370.793 0.957 20 5 FCBDLO Cn1c[nH+]cc1CCOC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000837697457 670124082 /nfs/dbraw/zinc/12/40/82/670124082.db2.gz BMCDERTVYKKYRQ-UHFFFAOYSA-N 1 2 368.371 0.393 20 5 FCBDLO O=C(C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001000670690 676058926 /nfs/dbraw/zinc/05/89/26/676058926.db2.gz RNYOGGJLAIBJIU-HUUCEWRRSA-N 1 2 350.419 0.412 20 5 FCBDLO O=C(C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCC1 ZINC001000670690 676058928 /nfs/dbraw/zinc/05/89/28/676058928.db2.gz RNYOGGJLAIBJIU-HUUCEWRRSA-N 1 2 350.419 0.412 20 5 FCBDLO COCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001001396439 676070916 /nfs/dbraw/zinc/07/09/16/676070916.db2.gz QNIVOMHFCJDGCV-VXGBXAGGSA-N 1 2 353.379 0.209 20 5 FCBDLO CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001025777847 1182824754 /nfs/dbraw/zinc/82/47/54/1182824754.db2.gz PFPPPAZRRFACBO-GAGVYUBLSA-N 1 2 364.446 0.489 20 5 FCBDLO CN(C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC001025777847 1182824756 /nfs/dbraw/zinc/82/47/56/1182824756.db2.gz PFPPPAZRRFACBO-GAGVYUBLSA-N 1 2 364.446 0.489 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000978985779 1186044255 /nfs/dbraw/zinc/04/42/55/1186044255.db2.gz SJUPHEHJJAUHAJ-IQOUGMIPSA-N 1 2 365.390 0.026 20 5 FCBDLO CCn1c(C)nnc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964240 1191036682 /nfs/dbraw/zinc/03/66/82/1191036682.db2.gz AVPJSHQAYXUHFH-HUUCEWRRSA-N 1 2 364.450 0.942 20 5 FCBDLO CCn1c(C)nnc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964240 1191036684 /nfs/dbraw/zinc/03/66/84/1191036684.db2.gz AVPJSHQAYXUHFH-HUUCEWRRSA-N 1 2 364.450 0.942 20 5 FCBDLO C[N@@H+](Cc1ncnn1CCF)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964760 1191038829 /nfs/dbraw/zinc/03/88/29/1191038829.db2.gz YDRBFVTXJOSESP-ZIAGYGMSSA-N 1 2 368.413 0.583 20 5 FCBDLO C[N@H+](Cc1ncnn1CCF)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964760 1191038831 /nfs/dbraw/zinc/03/88/31/1191038831.db2.gz YDRBFVTXJOSESP-ZIAGYGMSSA-N 1 2 368.413 0.583 20 5 FCBDLO O=C(NCC[NH2+]Cc1nc(Cc2ccc(F)cc2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939379 1194628669 /nfs/dbraw/zinc/62/86/69/1194628669.db2.gz VYDOBSAJGKCPFG-CHWSQXEVSA-N 1 2 363.349 0.671 20 5 FCBDLO CN(Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001060494879 1197779158 /nfs/dbraw/zinc/77/91/58/1197779158.db2.gz IICIQEKHLHGJBH-HZPDHXFCSA-N 1 2 371.397 0.892 20 5 FCBDLO O=C(OCCN1C(=O)CNC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785677330 1200782609 /nfs/dbraw/zinc/78/26/09/1200782609.db2.gz KHVXYUWGJCCFNK-UHFFFAOYSA-N 1 2 359.298 0.489 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823920701 1203279555 /nfs/dbraw/zinc/27/95/55/1203279555.db2.gz AAKWJOJKBGWJCP-UHFFFAOYSA-N 1 2 367.406 0.990 20 5 FCBDLO Cc1ccc(C[NH2+]Cc2cn(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nn2)cc1 ZINC001093318763 1206075346 /nfs/dbraw/zinc/07/53/46/1206075346.db2.gz OCYUSTQVZZPEBQ-IAGOWNOFSA-N 1 2 370.413 0.925 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273324 1208488950 /nfs/dbraw/zinc/48/89/50/1208488950.db2.gz AETUSGOJSPFUND-SUMWQHHRSA-N 1 2 362.430 0.913 20 5 FCBDLO Cc1noc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)n1 ZINC000949092107 1212289447 /nfs/dbraw/zinc/28/94/47/1212289447.db2.gz PFJOAZWEBQWTOF-CHWSQXEVSA-N 1 2 365.390 0.237 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N(C)C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC000954346654 1213057667 /nfs/dbraw/zinc/05/76/67/1213057667.db2.gz FQVLWQWGWMMCKR-ZIAGYGMSSA-N 1 2 357.370 0.591 20 5 FCBDLO CN(C(=O)Cn1c[nH+]c2c1CCCC2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954797585 1213111023 /nfs/dbraw/zinc/11/10/23/1213111023.db2.gz LVBBKIBDVHHIHU-IUODEOHRSA-N 1 2 361.402 0.096 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011114828 1213831094 /nfs/dbraw/zinc/83/10/94/1213831094.db2.gz YMNFCOQNINCBRW-HZPDHXFCSA-N 1 2 369.381 0.822 20 5 FCBDLO CC(C)(C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1c[nH+]c[nH]1 ZINC001017440404 1214095051 /nfs/dbraw/zinc/09/50/51/1214095051.db2.gz GUYUOUMXWOXPGO-CHWSQXEVSA-N 1 2 361.402 0.627 20 5 FCBDLO NC(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017546922 1214114548 /nfs/dbraw/zinc/11/45/48/1214114548.db2.gz WIBHKXKMOSTPIW-QKPAOTATSA-N 1 2 358.398 0.626 20 5 FCBDLO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001017546922 1214114552 /nfs/dbraw/zinc/11/45/52/1214114552.db2.gz WIBHKXKMOSTPIW-QKPAOTATSA-N 1 2 358.398 0.626 20 5 FCBDLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019166002 1214211700 /nfs/dbraw/zinc/21/17/00/1214211700.db2.gz MFTFQFXUGVWTOE-IUODEOHRSA-N 1 2 369.381 0.903 20 5 FCBDLO CN(C)C(=O)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291387 1216426825 /nfs/dbraw/zinc/42/68/25/1216426825.db2.gz QOBXHMFBGFECBW-HZPDHXFCSA-N 1 2 360.414 0.414 20 5 FCBDLO CN(C)C(=O)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291387 1216426828 /nfs/dbraw/zinc/42/68/28/1216426828.db2.gz QOBXHMFBGFECBW-HZPDHXFCSA-N 1 2 360.414 0.414 20 5 FCBDLO O=C1C[C@@H]([N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000798346750 1221283938 /nfs/dbraw/zinc/28/39/38/1221283938.db2.gz PRNIFRFIDCQEAA-DDTOSNHZSA-N 1 2 374.353 0.657 20 5 FCBDLO O=C1C[C@@H]([N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000798346750 1221283940 /nfs/dbraw/zinc/28/39/40/1221283940.db2.gz PRNIFRFIDCQEAA-DDTOSNHZSA-N 1 2 374.353 0.657 20 5 FCBDLO Nc1c(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cccc1[N+](=O)[O-] ZINC001118201550 1221732201 /nfs/dbraw/zinc/73/22/01/1221732201.db2.gz KHEPQVGLUMQGTR-UHFFFAOYSA-N 1 2 371.401 0.892 20 5 FCBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000837863382 1222660669 /nfs/dbraw/zinc/66/06/69/1222660669.db2.gz CIMNWLDKYFFHCH-UHFFFAOYSA-N 1 2 364.402 0.788 20 5 FCBDLO O=C(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)NC(=O)NC1CC1 ZINC000838102342 1222670874 /nfs/dbraw/zinc/67/08/74/1222670874.db2.gz PDRYHUKNPNTFBH-UHFFFAOYSA-N 1 2 373.325 0.926 20 5 FCBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001153814989 1222988846 /nfs/dbraw/zinc/98/88/46/1222988846.db2.gz GTBVAPGQYFTXET-NSHDSACASA-N 1 2 361.358 0.804 20 5 FCBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001153814989 1222988850 /nfs/dbraw/zinc/98/88/50/1222988850.db2.gz GTBVAPGQYFTXET-NSHDSACASA-N 1 2 361.358 0.804 20 5 FCBDLO CCn1c(C)nnc1C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097866 1223145173 /nfs/dbraw/zinc/14/51/73/1223145173.db2.gz MXOLAFJSMTWBFT-HUUCEWRRSA-N 1 2 362.434 0.910 20 5 FCBDLO CCn1c(C)nnc1C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160097866 1223145176 /nfs/dbraw/zinc/14/51/76/1223145176.db2.gz MXOLAFJSMTWBFT-HUUCEWRRSA-N 1 2 362.434 0.910 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001160691585 1223168443 /nfs/dbraw/zinc/16/84/43/1223168443.db2.gz TVBKBBBTKFIGEA-GFCCVEGCSA-N 1 2 363.330 0.706 20 5 FCBDLO COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001160692052 1223168592 /nfs/dbraw/zinc/16/85/92/1223168592.db2.gz BHJYDYUTICEUAY-SECBINFHSA-N 1 2 366.334 0.332 20 5 FCBDLO O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001062991049 1254288891 /nfs/dbraw/zinc/28/88/91/1254288891.db2.gz WYCVTHXYRKANGP-BXUZGUMPSA-N 1 2 357.370 0.997 20 5 FCBDLO CCN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)Cn1cc[nH+]c1 ZINC001081083924 1256171307 /nfs/dbraw/zinc/17/13/07/1256171307.db2.gz ZHVQIFPBQNJPOV-HUUCEWRRSA-N 1 2 363.418 0.635 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC001258326208 1260044529 /nfs/dbraw/zinc/04/45/29/1260044529.db2.gz QORSSZOTRYLKEM-UHFFFAOYSA-N 1 2 364.402 0.044 20 5 FCBDLO CN1CC[NH+](C(C)(C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC001337826015 1260495202 /nfs/dbraw/zinc/49/52/02/1260495202.db2.gz FDLNJORTSHOUJB-UHFFFAOYSA-N 1 2 371.463 0.680 20 5 FCBDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001313445547 1263318661 /nfs/dbraw/zinc/31/86/61/1263318661.db2.gz XUMOCOKYPBKBEJ-HZPDHXFCSA-N 1 2 360.414 0.698 20 5 FCBDLO Cc1nn(C)c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC001318274911 1263556555 /nfs/dbraw/zinc/55/65/55/1263556555.db2.gz ZQYJLSXSBSPMLC-UHFFFAOYSA-N 1 2 363.378 0.418 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001321689250 1264034975 /nfs/dbraw/zinc/03/49/75/1264034975.db2.gz JOILRADUPIHFHY-ZDUSSCGKSA-N 1 2 359.386 0.997 20 5 FCBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001325567958 1264930253 /nfs/dbraw/zinc/93/02/53/1264930253.db2.gz BNUHYXRSOXPNJJ-NSHDSACASA-N 1 2 361.362 0.037 20 5 FCBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC001580875073 1279081347 /nfs/dbraw/zinc/08/13/47/1279081347.db2.gz WVPKKXLZZPFHNX-ZETCQYMHSA-N 1 2 353.759 0.654 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590197805 1283307342 /nfs/dbraw/zinc/30/73/42/1283307342.db2.gz SFGAMTMZDNMFHD-ZYHUDNBSSA-N 1 2 374.405 0.657 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)[C@H](C)CO1 ZINC001590304004 1283443754 /nfs/dbraw/zinc/44/37/54/1283443754.db2.gz KYWTXPRCQVQEOF-NXEZZACHSA-N 1 2 362.394 0.878 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)[C@H](C)CO1 ZINC001590304004 1283443756 /nfs/dbraw/zinc/44/37/56/1283443756.db2.gz KYWTXPRCQVQEOF-NXEZZACHSA-N 1 2 362.394 0.878 20 5 FCBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590312860 1283456811 /nfs/dbraw/zinc/45/68/11/1283456811.db2.gz LBPROMQGJCHYOM-DTWKUNHWSA-N 1 2 353.408 0.728 20 5 FCBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001590312860 1283456819 /nfs/dbraw/zinc/45/68/19/1283456819.db2.gz LBPROMQGJCHYOM-DTWKUNHWSA-N 1 2 353.408 0.728 20 5 FCBDLO C[N@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001591098225 1284167712 /nfs/dbraw/zinc/16/77/12/1284167712.db2.gz XKRQYNFOFQCQFF-UHFFFAOYSA-N 1 2 370.373 0.965 20 5 FCBDLO C[N@@H+](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001591098225 1284167716 /nfs/dbraw/zinc/16/77/16/1284167716.db2.gz XKRQYNFOFQCQFF-UHFFFAOYSA-N 1 2 370.373 0.965 20 5 FCBDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592007870 1285055823 /nfs/dbraw/zinc/05/58/23/1285055823.db2.gz QIQSOQQESNVBJH-UHFFFAOYSA-N 1 2 374.405 0.294 20 5 FCBDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592007924 1285055893 /nfs/dbraw/zinc/05/58/93/1285055893.db2.gz UOLWIAHDPNUNSI-UHFFFAOYSA-N 1 2 374.405 0.469 20 5 FCBDLO CN1CC[NH+](C(C)(C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001609284934 1289048848 /nfs/dbraw/zinc/04/88/48/1289048848.db2.gz NPKIETKOQQOXOJ-UHFFFAOYSA-N 1 2 361.410 0.608 20 5 FCBDLO CN(CC(=O)N1CC[NH+](C)CC1)c1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001604862380 1287802585 /nfs/dbraw/zinc/80/25/85/1287802585.db2.gz GZTMHHLVUUDRQN-UHFFFAOYSA-N 1 2 366.407 0.047 20 5 FCBDLO CC(C)n1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)nn1 ZINC001699883724 1289571954 /nfs/dbraw/zinc/57/19/54/1289571954.db2.gz XQTIKSJJLKCCGS-ZIAGYGMSSA-N 1 2 366.422 0.279 20 5 FCBDLO CC(=O)Nc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001086364074 842127745 /nfs/dbraw/zinc/12/77/45/842127745.db2.gz SISHNYQSJOFFBB-FPQZTECRSA-N 1 2 367.431 0.751 20 5 FCBDLO CN(CCNS(C)(=O)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001116053834 846597704 /nfs/dbraw/zinc/59/77/04/846597704.db2.gz YFFUUZDKVXBZAN-UHFFFAOYSA-N 1 2 367.387 0.402 20 5 FCBDLO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001157771861 849993593 /nfs/dbraw/zinc/99/35/93/849993593.db2.gz HAGKLMSHMLRZFR-NSHDSACASA-N 1 2 352.347 0.460 20 5 FCBDLO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001157771861 849993601 /nfs/dbraw/zinc/99/36/01/849993601.db2.gz HAGKLMSHMLRZFR-NSHDSACASA-N 1 2 352.347 0.460 20 5 FCBDLO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC(F)(F)F ZINC001223105650 856896372 /nfs/dbraw/zinc/89/63/72/856896372.db2.gz MQYKTDKZVDTZMX-GHMZBOCLSA-N 1 2 366.340 0.158 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308060541 866696164 /nfs/dbraw/zinc/69/61/64/866696164.db2.gz VVPKAWQLJMEVMH-RYUDHWBXSA-N 1 2 370.431 0.793 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308060541 866696175 /nfs/dbraw/zinc/69/61/75/866696175.db2.gz VVPKAWQLJMEVMH-RYUDHWBXSA-N 1 2 370.431 0.793 20 5 FCBDLO CC(C)n1ncnc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001308250484 866710892 /nfs/dbraw/zinc/71/08/92/866710892.db2.gz UQOOHIOOLBQPKC-UHFFFAOYSA-N 1 2 368.419 0.835 20 5 FCBDLO C[C@H](C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001320250399 868122115 /nfs/dbraw/zinc/12/21/15/868122115.db2.gz PEGNXPYHTAGZND-LLVKDONJSA-N 1 2 352.372 0.942 20 5 FCBDLO CN(C)c1cc(F)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1[N+](=O)[O-] ZINC000295457568 214299648 /nfs/dbraw/zinc/29/96/48/214299648.db2.gz OBYRXZSPTLDHDY-LLVKDONJSA-N 1 2 351.382 0.530 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000297413210 214398328 /nfs/dbraw/zinc/39/83/28/214398328.db2.gz OHJPYANXBHMNPF-NSHDSACASA-N 1 2 368.365 0.506 20 5 FCBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000265619172 210179591 /nfs/dbraw/zinc/17/95/91/210179591.db2.gz QKHXINKKYZWSKZ-GFCCVEGCSA-N 1 2 368.415 0.319 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000289413604 213869697 /nfs/dbraw/zinc/86/96/97/213869697.db2.gz BEMKWTFUBKVOEI-UHFFFAOYSA-N 1 2 366.355 0.782 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000331611685 215023382 /nfs/dbraw/zinc/02/33/82/215023382.db2.gz RUIFYJFBDSSPAO-BXUZGUMPSA-N 1 2 368.415 0.324 20 5 FCBDLO 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CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000427865718 489624335 /nfs/dbraw/zinc/62/43/35/489624335.db2.gz IVNWOLXISIFSID-AWEZNQCLSA-N 1 2 350.375 0.760 20 5 FCBDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000427865718 489624336 /nfs/dbraw/zinc/62/43/36/489624336.db2.gz IVNWOLXISIFSID-AWEZNQCLSA-N 1 2 350.375 0.760 20 5 FCBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cccc1[N+](=O)[O-] ZINC000459538323 489738303 /nfs/dbraw/zinc/73/83/03/489738303.db2.gz ZISICHBMKRLKAG-ZLDLUXBVSA-N 1 2 362.386 0.820 20 5 FCBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cccc1[N+](=O)[O-] ZINC000459538323 489738308 /nfs/dbraw/zinc/73/83/08/489738308.db2.gz ZISICHBMKRLKAG-ZLDLUXBVSA-N 1 2 362.386 0.820 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000377462336 489907680 /nfs/dbraw/zinc/90/76/80/489907680.db2.gz ZNQLNGMLZHSVCG-HNNXBMFYSA-N 1 2 369.447 0.506 20 5 FCBDLO 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490120121 /nfs/dbraw/zinc/12/01/21/490120121.db2.gz YGNDUBWFLXCXJX-NSHDSACASA-N 1 2 362.390 0.991 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445044402 490120128 /nfs/dbraw/zinc/12/01/28/490120128.db2.gz YGNDUBWFLXCXJX-NSHDSACASA-N 1 2 362.390 0.991 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520234582 490120917 /nfs/dbraw/zinc/12/09/17/490120917.db2.gz RPLKYKUEWKSFRY-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520234582 490120923 /nfs/dbraw/zinc/12/09/23/490120923.db2.gz RPLKYKUEWKSFRY-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CCn2cc([N+](=O)[O-])cn2)no1 ZINC000507105197 490174182 /nfs/dbraw/zinc/17/41/82/490174182.db2.gz SWEXTIUUFPYMHE-UHFFFAOYSA-N 1 2 351.367 0.678 20 5 FCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000546082986 490184437 /nfs/dbraw/zinc/18/44/37/490184437.db2.gz DROAMKWZTNPLTN-UHFFFAOYSA-N 1 2 358.358 0.734 20 5 FCBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533146137 490184837 /nfs/dbraw/zinc/18/48/37/490184837.db2.gz DFMREEQPTKUWCH-SNVBAGLBSA-N 1 2 352.372 0.943 20 5 FCBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533146136 490185334 /nfs/dbraw/zinc/18/53/34/490185334.db2.gz DFMREEQPTKUWCH-JTQLQIEISA-N 1 2 352.372 0.943 20 5 FCBDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000467190400 490265109 /nfs/dbraw/zinc/26/51/09/490265109.db2.gz GDKLZDHDKFNEGQ-ITSYKEIMSA-N 1 2 357.388 0.961 20 5 FCBDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000467190400 490265117 /nfs/dbraw/zinc/26/51/17/490265117.db2.gz GDKLZDHDKFNEGQ-ITSYKEIMSA-N 1 2 357.388 0.961 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521489716 490270202 /nfs/dbraw/zinc/27/02/02/490270202.db2.gz UOPKMOVDJOLECH-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521489716 490270210 /nfs/dbraw/zinc/27/02/10/490270210.db2.gz UOPKMOVDJOLECH-LLVKDONJSA-N 1 2 351.359 0.817 20 5 FCBDLO CCn1cc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC000533633820 490270479 /nfs/dbraw/zinc/27/04/79/490270479.db2.gz GUQKNFRKXQBDFG-UHFFFAOYSA-N 1 2 374.467 0.117 20 5 FCBDLO CNC(=O)N[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447802721 490277709 /nfs/dbraw/zinc/27/77/09/490277709.db2.gz NETPWAWSGRVOGI-AWEZNQCLSA-N 1 2 363.418 0.935 20 5 FCBDLO CCCc1n[nH]c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000467499935 490302457 /nfs/dbraw/zinc/30/24/57/490302457.db2.gz BIZWICADTJZQQI-OAHLLOKOSA-N 1 2 355.395 0.083 20 5 FCBDLO COC(=O)[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000450143555 490446804 /nfs/dbraw/zinc/44/68/04/490446804.db2.gz FNJUUBJVIWUIGF-MRXNPFEDSA-N 1 2 360.326 0.842 20 5 FCBDLO COC1CN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000510666676 490533029 /nfs/dbraw/zinc/53/30/29/490533029.db2.gz MLVNUJSNDTXMCZ-UHFFFAOYSA-N 1 2 370.431 0.366 20 5 FCBDLO CSc1cccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000485513163 490537651 /nfs/dbraw/zinc/53/76/51/490537651.db2.gz JAGIPAGKKVVOSX-UHFFFAOYSA-N 1 2 352.416 0.868 20 5 FCBDLO CSc1cccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000485513163 490537653 /nfs/dbraw/zinc/53/76/53/490537653.db2.gz JAGIPAGKKVVOSX-UHFFFAOYSA-N 1 2 352.416 0.868 20 5 FCBDLO CC(C)(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCOCC1 ZINC000548902879 490553642 /nfs/dbraw/zinc/55/36/42/490553642.db2.gz BNKKQENBUZJJSE-UHFFFAOYSA-N 1 2 363.418 0.749 20 5 FCBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cc1 ZINC000549159962 490567693 /nfs/dbraw/zinc/56/76/93/490567693.db2.gz YCYQINLIQGEOOS-UHFFFAOYSA-N 1 2 358.358 0.375 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 ZINC000486006380 490582426 /nfs/dbraw/zinc/58/24/26/490582426.db2.gz QLHKETRLPOZLRB-CYBMUJFWSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCO1 ZINC000486006380 490582432 /nfs/dbraw/zinc/58/24/32/490582432.db2.gz QLHKETRLPOZLRB-CYBMUJFWSA-N 1 2 358.420 0.765 20 5 FCBDLO Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000565036496 491347113 /nfs/dbraw/zinc/34/71/13/491347113.db2.gz WIZUGCQLIKMCSF-UHFFFAOYSA-N 1 2 351.407 1.434 20 5 FCBDLO Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000539424911 490782892 /nfs/dbraw/zinc/78/28/92/490782892.db2.gz QODUPKLYECIMGI-UHFFFAOYSA-N 1 2 360.359 0.923 20 5 FCBDLO C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000542764098 490907565 /nfs/dbraw/zinc/90/75/65/490907565.db2.gz BIDBNJTUOZFZTM-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000543912037 490951261 /nfs/dbraw/zinc/95/12/61/490951261.db2.gz CVDRZAABXYRZOJ-ZDUSSCGKSA-N 1 2 364.402 0.470 20 5 FCBDLO 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488132126 /nfs/dbraw/zinc/13/21/26/488132126.db2.gz RSLCGHSBRMFLHK-CQSZACIVSA-N 1 2 369.443 0.763 20 5 FCBDLO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000051382496 488132132 /nfs/dbraw/zinc/13/21/32/488132132.db2.gz RSLCGHSBRMFLHK-CQSZACIVSA-N 1 2 369.443 0.763 20 5 FCBDLO CN(C)S(=O)(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051649902 488138795 /nfs/dbraw/zinc/13/87/95/488138795.db2.gz ZVYFGAZJHGNUEQ-UHFFFAOYSA-N 1 2 358.420 0.398 20 5 FCBDLO CCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000052112989 488156566 /nfs/dbraw/zinc/15/65/66/488156566.db2.gz WWCSOCMPXIRZNG-UHFFFAOYSA-N 1 2 370.431 0.891 20 5 FCBDLO CCS(=O)(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000052112972 488156816 /nfs/dbraw/zinc/15/68/16/488156816.db2.gz CZAURQKEDYOAPA-AWEZNQCLSA-N 1 2 373.431 0.302 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000052611042 488174167 /nfs/dbraw/zinc/17/41/67/488174167.db2.gz FLFPDBNQEARQRC-UHFFFAOYSA-N 1 2 359.386 0.922 20 5 FCBDLO CSc1cccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000364536319 488969834 /nfs/dbraw/zinc/96/98/34/488969834.db2.gz ZNDATEINOHOSIZ-UHFFFAOYSA-N 1 2 352.416 0.950 20 5 FCBDLO CSc1cccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000364536319 488969836 /nfs/dbraw/zinc/96/98/36/488969836.db2.gz ZNDATEINOHOSIZ-UHFFFAOYSA-N 1 2 352.416 0.950 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000056044801 488250663 /nfs/dbraw/zinc/25/06/63/488250663.db2.gz KDEJCLKXBNLCNH-UHFFFAOYSA-N 1 2 374.394 0.223 20 5 FCBDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000067716758 488355381 /nfs/dbraw/zinc/35/53/81/488355381.db2.gz RUWHSSYVHVLZMM-UHFFFAOYSA-N 1 2 371.415 0.773 20 5 FCBDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000070948639 488376156 /nfs/dbraw/zinc/37/61/56/488376156.db2.gz ROHXEKXCHWOTEU-UHFFFAOYSA-N 1 2 365.415 0.835 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000077674668 488416554 /nfs/dbraw/zinc/41/65/54/488416554.db2.gz QDHANGBKXOWIOB-AWEZNQCLSA-N 1 2 360.374 0.204 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000077674668 488416555 /nfs/dbraw/zinc/41/65/55/488416555.db2.gz QDHANGBKXOWIOB-AWEZNQCLSA-N 1 2 360.374 0.204 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000268609832 488435891 /nfs/dbraw/zinc/43/58/91/488435891.db2.gz ZICWWNNFTQYLCJ-UHFFFAOYSA-N 1 2 370.431 0.225 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269292238 488487938 /nfs/dbraw/zinc/48/79/38/488487938.db2.gz QBKYQTZNODKRSD-UHFFFAOYSA-N 1 2 350.375 0.583 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248428186 488496184 /nfs/dbraw/zinc/49/61/84/488496184.db2.gz ORBWCEUPNWDEOM-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248428186 488496186 /nfs/dbraw/zinc/49/61/86/488496186.db2.gz ORBWCEUPNWDEOM-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249132357 488507037 /nfs/dbraw/zinc/50/70/37/488507037.db2.gz DFCKUSIDMKGGMO-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249132357 488507040 /nfs/dbraw/zinc/50/70/40/488507040.db2.gz DFCKUSIDMKGGMO-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000116550862 488547961 /nfs/dbraw/zinc/54/79/61/488547961.db2.gz SJKZWDXMSSCJNY-UHFFFAOYSA-N 1 2 360.374 0.552 20 5 FCBDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000271886678 488552702 /nfs/dbraw/zinc/55/27/02/488552702.db2.gz DBAIULFWKIFTCH-UHFFFAOYSA-N 1 2 373.431 0.946 20 5 FCBDLO NC(=O)c1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000122139797 488576174 /nfs/dbraw/zinc/57/61/74/488576174.db2.gz JUONHRGMUSJQKT-NSHDSACASA-N 1 2 365.308 0.801 20 5 FCBDLO NC(=O)c1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000122139797 488576175 /nfs/dbraw/zinc/57/61/75/488576175.db2.gz JUONHRGMUSJQKT-NSHDSACASA-N 1 2 365.308 0.801 20 5 FCBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000123287246 488584318 /nfs/dbraw/zinc/58/43/18/488584318.db2.gz QPOSTKMOXFFRKC-CYBMUJFWSA-N 1 2 357.432 0.980 20 5 FCBDLO COc1cc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000263711039 488621106 /nfs/dbraw/zinc/62/11/06/488621106.db2.gz VCJWNHXOCDEPFG-UHFFFAOYSA-N 1 2 350.375 0.497 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263992587 488641887 /nfs/dbraw/zinc/64/18/87/488641887.db2.gz VZQYWTQFFQHCAU-SNVBAGLBSA-N 1 2 361.358 0.596 20 5 FCBDLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000273346443 488645487 /nfs/dbraw/zinc/64/54/87/488645487.db2.gz OOXFDNIJMUQJHJ-KBPBESRZSA-N 1 2 353.375 0.171 20 5 FCBDLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000273346443 488645489 /nfs/dbraw/zinc/64/54/89/488645489.db2.gz OOXFDNIJMUQJHJ-KBPBESRZSA-N 1 2 353.375 0.171 20 5 FCBDLO Cc1c(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000554651130 491215936 /nfs/dbraw/zinc/21/59/36/491215936.db2.gz RPATVZSMUIUJOE-LBPRGKRZSA-N 1 2 364.402 0.356 20 5 FCBDLO Cc1c(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000554651130 491215938 /nfs/dbraw/zinc/21/59/38/491215938.db2.gz RPATVZSMUIUJOE-LBPRGKRZSA-N 1 2 364.402 0.356 20 5 FCBDLO COc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264376257 488668692 /nfs/dbraw/zinc/66/86/92/488668692.db2.gz FUTHEHYZOIKWSB-ZDUSSCGKSA-N 1 2 366.418 0.734 20 5 FCBDLO C[C@@H](CO)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264604432 488689520 /nfs/dbraw/zinc/68/95/20/488689520.db2.gz CNDSNTQPIULFNL-NSHDSACASA-N 1 2 358.420 0.324 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274246616 488693280 /nfs/dbraw/zinc/69/32/80/488693280.db2.gz YVPJIGBXSUZUHL-HIFRSBDPSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000274246616 488693282 /nfs/dbraw/zinc/69/32/82/488693282.db2.gz YVPJIGBXSUZUHL-HIFRSBDPSA-N 1 2 358.416 0.844 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264735268 488704830 /nfs/dbraw/zinc/70/48/30/488704830.db2.gz QMFQUIKXTMSDOS-UHFFFAOYSA-N 1 2 370.431 0.571 20 5 FCBDLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000274645240 488724948 /nfs/dbraw/zinc/72/49/48/488724948.db2.gz LXVAHYIZYSEUEB-KRWDZBQOSA-N 1 2 365.386 0.667 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155758676 488758966 /nfs/dbraw/zinc/75/89/66/488758966.db2.gz MTRJQHPHRIIGQF-LBPRGKRZSA-N 1 2 367.387 0.768 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000155758676 488758968 /nfs/dbraw/zinc/75/89/68/488758968.db2.gz MTRJQHPHRIIGQF-LBPRGKRZSA-N 1 2 367.387 0.768 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000275140023 488765673 /nfs/dbraw/zinc/76/56/73/488765673.db2.gz NTHHPDIXTKYXGD-VIFPVBQESA-N 1 2 351.388 0.738 20 5 FCBDLO CN(CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000267176092 488767620 /nfs/dbraw/zinc/76/76/20/488767620.db2.gz VTNQZRMKEOCOIO-UHFFFAOYSA-N 1 2 363.418 0.439 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159693670 488786976 /nfs/dbraw/zinc/78/69/76/488786976.db2.gz QPPGUPOYLUDYCN-CYBMUJFWSA-N 1 2 363.418 0.041 20 5 FCBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159693670 488786977 /nfs/dbraw/zinc/78/69/77/488786977.db2.gz QPPGUPOYLUDYCN-CYBMUJFWSA-N 1 2 363.418 0.041 20 5 FCBDLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000267460873 488788743 /nfs/dbraw/zinc/78/87/43/488788743.db2.gz QFNDPFBVASVAHK-AWEZNQCLSA-N 1 2 352.391 0.682 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000160833139 488793558 /nfs/dbraw/zinc/79/35/58/488793558.db2.gz RPVAGHXXYXYWAF-UHFFFAOYSA-N 1 2 361.395 0.811 20 5 FCBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000161865522 488799461 /nfs/dbraw/zinc/79/94/61/488799461.db2.gz YJFSLSYUNJJZOE-CYBMUJFWSA-N 1 2 352.395 0.298 20 5 FCBDLO CNC(=O)c1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000267584151 488800774 /nfs/dbraw/zinc/80/07/74/488800774.db2.gz ZOAFIWHADUWAOC-CYBMUJFWSA-N 1 2 352.391 0.084 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000267640828 488808256 /nfs/dbraw/zinc/80/82/56/488808256.db2.gz HGNDPMKCRLYZMY-CYBMUJFWSA-N 1 2 362.386 0.841 20 5 FCBDLO O=C(c1ccccn1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173193765 488841613 /nfs/dbraw/zinc/84/16/13/488841613.db2.gz WOROMDMILJXLCW-AWEZNQCLSA-N 1 2 360.374 0.005 20 5 FCBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000281388803 489072031 /nfs/dbraw/zinc/07/20/31/489072031.db2.gz XTSKQQLWRRGJSX-CYBMUJFWSA-N 1 2 367.402 0.759 20 5 FCBDLO CC(C)n1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 ZINC000289774595 489092142 /nfs/dbraw/zinc/09/21/42/489092142.db2.gz PLEJLISXHIMOSI-UHFFFAOYSA-N 1 2 368.419 0.835 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282106160 489135297 /nfs/dbraw/zinc/13/52/97/489135297.db2.gz PPCDBTUZCFPPLF-HIFRSBDPSA-N 1 2 351.359 0.922 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282106160 489135301 /nfs/dbraw/zinc/13/53/01/489135301.db2.gz PPCDBTUZCFPPLF-HIFRSBDPSA-N 1 2 351.359 0.922 20 5 FCBDLO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCNC1=O ZINC000282482099 489168085 /nfs/dbraw/zinc/16/80/85/489168085.db2.gz VLMRTKJXIPTSHS-JTQLQIEISA-N 1 2 350.331 0.472 20 5 FCBDLO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCNC1=O ZINC000282482099 489168089 /nfs/dbraw/zinc/16/80/89/489168089.db2.gz VLMRTKJXIPTSHS-JTQLQIEISA-N 1 2 350.331 0.472 20 5 FCBDLO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283116753 489217181 /nfs/dbraw/zinc/21/71/81/489217181.db2.gz HFDREDHNHYMXPI-GFCCVEGCSA-N 1 2 371.415 0.449 20 5 FCBDLO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283116753 489217184 /nfs/dbraw/zinc/21/71/84/489217184.db2.gz HFDREDHNHYMXPI-GFCCVEGCSA-N 1 2 371.415 0.449 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369412371 489232626 /nfs/dbraw/zinc/23/26/26/489232626.db2.gz FOZWELMMJDLAGQ-UHFFFAOYSA-N 1 2 354.794 0.810 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369412371 489232629 /nfs/dbraw/zinc/23/26/29/489232629.db2.gz FOZWELMMJDLAGQ-UHFFFAOYSA-N 1 2 354.794 0.810 20 5 FCBDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1=O ZINC000563390592 491241405 /nfs/dbraw/zinc/24/14/05/491241405.db2.gz TWAXNRNEGMGJGU-LLVKDONJSA-N 1 2 373.373 0.227 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000298335049 489318293 /nfs/dbraw/zinc/31/82/93/489318293.db2.gz YBDGJBGRLJRVNE-UHFFFAOYSA-N 1 2 369.447 0.209 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c2nonc21 ZINC000299299815 489429731 /nfs/dbraw/zinc/42/97/31/489429731.db2.gz AWTJYSOTHFNBGZ-SNVBAGLBSA-N 1 2 367.387 0.440 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000299428355 489440337 /nfs/dbraw/zinc/44/03/37/489440337.db2.gz ASOLPBBWSRYCQT-UHFFFAOYSA-N 1 2 371.361 0.265 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000299428355 489440339 /nfs/dbraw/zinc/44/03/39/489440339.db2.gz ASOLPBBWSRYCQT-UHFFFAOYSA-N 1 2 371.361 0.265 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299531767 489452649 /nfs/dbraw/zinc/45/26/49/489452649.db2.gz LXRZEUMJJROOHL-UHFFFAOYSA-N 1 2 364.406 0.397 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299531767 489452652 /nfs/dbraw/zinc/45/26/52/489452652.db2.gz LXRZEUMJJROOHL-UHFFFAOYSA-N 1 2 364.406 0.397 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299531767 489452654 /nfs/dbraw/zinc/45/26/54/489452654.db2.gz LXRZEUMJJROOHL-UHFFFAOYSA-N 1 2 364.406 0.397 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299531767 489452657 /nfs/dbraw/zinc/45/26/57/489452657.db2.gz LXRZEUMJJROOHL-UHFFFAOYSA-N 1 2 364.406 0.397 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485567 489470808 /nfs/dbraw/zinc/47/08/08/489470808.db2.gz AQWSEVCVNVEPNF-GWCFXTLKSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485567 489470809 /nfs/dbraw/zinc/47/08/09/489470809.db2.gz AQWSEVCVNVEPNF-GWCFXTLKSA-N 1 2 356.404 0.545 20 5 FCBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371309990 489476129 /nfs/dbraw/zinc/47/61/29/489476129.db2.gz FIYVLPLFZXPBPJ-ZIAGYGMSSA-N 1 2 350.379 0.566 20 5 FCBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371309990 489476130 /nfs/dbraw/zinc/47/61/30/489476130.db2.gz FIYVLPLFZXPBPJ-ZIAGYGMSSA-N 1 2 350.379 0.566 20 5 FCBDLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451210038 489493196 /nfs/dbraw/zinc/49/31/96/489493196.db2.gz RLXQFEONKZILOI-HUUCEWRRSA-N 1 2 374.353 0.919 20 5 FCBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451882918 489528229 /nfs/dbraw/zinc/52/82/29/489528229.db2.gz AOOFCEBXWSIBSL-OKILXGFUSA-N 1 2 355.416 0.877 20 5 FCBDLO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451882918 489528230 /nfs/dbraw/zinc/52/82/30/489528230.db2.gz AOOFCEBXWSIBSL-OKILXGFUSA-N 1 2 355.416 0.877 20 5 FCBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000451889837 489528857 /nfs/dbraw/zinc/52/88/57/489528857.db2.gz KVCLGGFZXVXXAZ-IYBDPMFKSA-N 1 2 369.443 0.920 20 5 FCBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000451889837 489528859 /nfs/dbraw/zinc/52/88/59/489528859.db2.gz KVCLGGFZXVXXAZ-IYBDPMFKSA-N 1 2 369.443 0.920 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000451894248 489529408 /nfs/dbraw/zinc/52/94/08/489529408.db2.gz UZHKEOMLOOGUJT-BETUJISGSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451894248 489529410 /nfs/dbraw/zinc/52/94/10/489529410.db2.gz UZHKEOMLOOGUJT-BETUJISGSA-N 1 2 357.432 0.812 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000372154985 489553082 /nfs/dbraw/zinc/55/30/82/489553082.db2.gz CQTYAQIICPHVRZ-ZDUSSCGKSA-N 1 2 368.415 0.107 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000372154985 489553084 /nfs/dbraw/zinc/55/30/84/489553084.db2.gz CQTYAQIICPHVRZ-ZDUSSCGKSA-N 1 2 368.415 0.107 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000372357016 489574875 /nfs/dbraw/zinc/57/48/75/489574875.db2.gz DFROCNFHCBZHLL-UHFFFAOYSA-N 1 2 372.385 0.414 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000372357016 489574876 /nfs/dbraw/zinc/57/48/76/489574876.db2.gz DFROCNFHCBZHLL-UHFFFAOYSA-N 1 2 372.385 0.414 20 5 FCBDLO CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000474736072 489783027 /nfs/dbraw/zinc/78/30/27/489783027.db2.gz KETTZOKHMMHLJP-CYBMUJFWSA-N 1 2 362.394 0.603 20 5 FCBDLO COc1c(C(=O)N(CCO)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000476415470 489886152 /nfs/dbraw/zinc/88/61/52/489886152.db2.gz OAWBBAYWJGGWNP-UHFFFAOYSA-N 1 2 353.375 0.370 20 5 FCBDLO O=C(CNc1ccccc1[N+](=O)[O-])N(CCO)CC[NH+]1CCOCC1 ZINC000434909861 489965842 /nfs/dbraw/zinc/96/58/42/489965842.db2.gz RFINUBPWBYEJMB-UHFFFAOYSA-N 1 2 352.391 0.160 20 5 FCBDLO Nc1c(C(=O)N(CCO)CC[NH+]2CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000434912377 489966736 /nfs/dbraw/zinc/96/67/36/489966736.db2.gz CBQLWFVEKVJHOW-UHFFFAOYSA-N 1 2 356.354 0.083 20 5 FCBDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000477866036 489994834 /nfs/dbraw/zinc/99/48/34/489994834.db2.gz KSMNBSGHIXHMQA-NSHDSACASA-N 1 2 357.374 0.709 20 5 FCBDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000477866036 489994837 /nfs/dbraw/zinc/99/48/37/489994837.db2.gz KSMNBSGHIXHMQA-NSHDSACASA-N 1 2 357.374 0.709 20 5 FCBDLO C[C@@H](C(=O)N(C)C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421025997 490043703 /nfs/dbraw/zinc/04/37/03/490043703.db2.gz RLMXZSIPJFYTRI-NSHDSACASA-N 1 2 358.420 0.282 20 5 FCBDLO C[C@@H](C(=O)N(C)C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421025997 490043708 /nfs/dbraw/zinc/04/37/08/490043708.db2.gz RLMXZSIPJFYTRI-NSHDSACASA-N 1 2 358.420 0.282 20 5 FCBDLO NS(=O)(=O)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444682235 490106328 /nfs/dbraw/zinc/10/63/28/490106328.db2.gz SMVMWQOEOCWJGC-UHFFFAOYSA-N 1 2 353.404 0.972 20 5 FCBDLO O=C(CCc1cccc([N+](=O)[O-])c1)NCC(=O)NCC[NH+]1CCOCC1 ZINC000446048750 490150990 /nfs/dbraw/zinc/15/09/90/490150990.db2.gz WAIBYVSLXLQSQA-UHFFFAOYSA-N 1 2 364.402 0.092 20 5 FCBDLO Cc1c(CNC(=O)N(CCO)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000480072337 490158168 /nfs/dbraw/zinc/15/81/68/490158168.db2.gz LPPAVTWTASQXRQ-UHFFFAOYSA-N 1 2 366.418 0.739 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c([N+](=O)[O-])n1 ZINC000533175910 490189942 /nfs/dbraw/zinc/18/99/42/490189942.db2.gz AGMDMWGSVUQSHX-UHFFFAOYSA-N 1 2 352.332 0.354 20 5 FCBDLO CCn1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC000533179496 490190109 /nfs/dbraw/zinc/19/01/09/490190109.db2.gz PHLWFUFFVLZTEC-LLVKDONJSA-N 1 2 361.424 0.058 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1[N+](=O)[O-] ZINC000520867218 490199951 /nfs/dbraw/zinc/19/99/51/490199951.db2.gz CDPXLRWVLPDAOP-UHFFFAOYSA-N 1 2 372.385 0.683 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1[N+](=O)[O-] ZINC000520867218 490199953 /nfs/dbraw/zinc/19/99/53/490199953.db2.gz CDPXLRWVLPDAOP-UHFFFAOYSA-N 1 2 372.385 0.683 20 5 FCBDLO COc1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000533522602 490247752 /nfs/dbraw/zinc/24/77/52/490247752.db2.gz IZCCWBRKQDXLHT-UHFFFAOYSA-N 1 2 358.420 0.010 20 5 FCBDLO CCn1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])n1 ZINC000533632857 490270525 /nfs/dbraw/zinc/27/05/25/490270525.db2.gz IMKMEQCGKCXNQV-UHFFFAOYSA-N 1 2 350.360 0.937 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000547718987 490348379 /nfs/dbraw/zinc/34/83/79/490348379.db2.gz VBDKTMORGNVQMI-LLVKDONJSA-N 1 2 358.420 0.456 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000547718987 490348385 /nfs/dbraw/zinc/34/83/85/490348385.db2.gz VBDKTMORGNVQMI-LLVKDONJSA-N 1 2 358.420 0.456 20 5 FCBDLO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000448896498 490384862 /nfs/dbraw/zinc/38/48/62/490384862.db2.gz GSGNOBJQHAUZEJ-AWEZNQCLSA-N 1 2 360.326 0.795 20 5 FCBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000484251748 490403463 /nfs/dbraw/zinc/40/34/63/490403463.db2.gz XEYYNCYFJLEZGK-UHFFFAOYSA-N 1 2 373.373 0.037 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000534877146 490421368 /nfs/dbraw/zinc/42/13/68/490421368.db2.gz OHIZIXCJFUXLKF-UHFFFAOYSA-N 1 2 356.404 0.595 20 5 FCBDLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000484430172 490424864 /nfs/dbraw/zinc/42/48/64/490424864.db2.gz WVGQDYGYFIEDJZ-UHFFFAOYSA-N 1 2 352.391 0.160 20 5 FCBDLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000484430172 490424865 /nfs/dbraw/zinc/42/48/65/490424865.db2.gz WVGQDYGYFIEDJZ-UHFFFAOYSA-N 1 2 352.391 0.160 20 5 FCBDLO CCc1n[nH]c(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000548254972 490450619 /nfs/dbraw/zinc/45/06/19/490450619.db2.gz DBQYKJMOADNWOB-UHFFFAOYSA-N 1 2 374.405 0.222 20 5 FCBDLO CC(C)Nc1nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc(NCCO)[nH+]1 ZINC000450560506 490473362 /nfs/dbraw/zinc/47/33/62/490473362.db2.gz PIRWFBXWPVMNPZ-NSHDSACASA-N 1 2 361.406 0.443 20 5 FCBDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000450560506 490473371 /nfs/dbraw/zinc/47/33/71/490473371.db2.gz PIRWFBXWPVMNPZ-NSHDSACASA-N 1 2 361.406 0.443 20 5 FCBDLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450560506 490473376 /nfs/dbraw/zinc/47/33/76/490473376.db2.gz PIRWFBXWPVMNPZ-NSHDSACASA-N 1 2 361.406 0.443 20 5 FCBDLO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000523664225 490483724 /nfs/dbraw/zinc/48/37/24/490483724.db2.gz FLDOVDQXBKSKQK-UHFFFAOYSA-N 1 2 351.359 0.770 20 5 FCBDLO COC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450769434 490488576 /nfs/dbraw/zinc/48/85/76/490488576.db2.gz XOABWKHZASYENK-UHFFFAOYSA-N 1 2 373.369 0.711 20 5 FCBDLO C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000485379213 490526733 /nfs/dbraw/zinc/52/67/33/490526733.db2.gz KOHAKUBUGDXZLT-AWEZNQCLSA-N 1 2 366.418 0.992 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000525184557 490582809 /nfs/dbraw/zinc/58/28/09/490582809.db2.gz VVPPZARMVWXGCZ-LBPRGKRZSA-N 1 2 357.436 0.152 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000536550521 490590297 /nfs/dbraw/zinc/59/02/97/490590297.db2.gz KWRCPFGOAVSRHN-LBPRGKRZSA-N 1 2 362.342 0.770 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000536550521 490590298 /nfs/dbraw/zinc/59/02/98/490590298.db2.gz KWRCPFGOAVSRHN-LBPRGKRZSA-N 1 2 362.342 0.770 20 5 FCBDLO NS(=O)(=O)CCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000549581759 490590909 /nfs/dbraw/zinc/59/09/09/490590909.db2.gz ZDJWZZKEADCSAV-UHFFFAOYSA-N 1 2 372.447 0.908 20 5 FCBDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000525697941 490621984 /nfs/dbraw/zinc/62/19/84/490621984.db2.gz SVEKAKFEVJFOAB-VXGBXAGGSA-N 1 2 358.420 0.767 20 5 FCBDLO Cc1nn(C)c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000512231216 490666577 /nfs/dbraw/zinc/66/65/77/490666577.db2.gz XIFDPNGSLLEVSY-UHFFFAOYSA-N 1 2 360.374 0.798 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000537573383 490683202 /nfs/dbraw/zinc/68/32/02/490683202.db2.gz ZQVKORVEONTBGU-LLVKDONJSA-N 1 2 367.406 0.980 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000537573383 490683203 /nfs/dbraw/zinc/68/32/03/490683203.db2.gz ZQVKORVEONTBGU-LLVKDONJSA-N 1 2 367.406 0.980 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000537573383 490683207 /nfs/dbraw/zinc/68/32/07/490683207.db2.gz ZQVKORVEONTBGU-LLVKDONJSA-N 1 2 367.406 0.980 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000537573383 490683212 /nfs/dbraw/zinc/68/32/12/490683212.db2.gz ZQVKORVEONTBGU-LLVKDONJSA-N 1 2 367.406 0.980 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000556988521 491346392 /nfs/dbraw/zinc/34/63/92/491346392.db2.gz GTXBJXKZQQVCMP-LBPRGKRZSA-N 1 2 353.379 0.183 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000556988521 491346393 /nfs/dbraw/zinc/34/63/93/491346393.db2.gz GTXBJXKZQQVCMP-LBPRGKRZSA-N 1 2 353.379 0.183 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000527168848 490704823 /nfs/dbraw/zinc/70/48/23/490704823.db2.gz LXYLKHXAARVDMR-SNVBAGLBSA-N 1 2 354.338 0.509 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000527168848 490704827 /nfs/dbraw/zinc/70/48/27/490704827.db2.gz LXYLKHXAARVDMR-SNVBAGLBSA-N 1 2 354.338 0.509 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000527168843 490705083 /nfs/dbraw/zinc/70/50/83/490705083.db2.gz LXYLKHXAARVDMR-JTQLQIEISA-N 1 2 354.338 0.509 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCO1 ZINC000527168843 490705086 /nfs/dbraw/zinc/70/50/86/490705086.db2.gz LXYLKHXAARVDMR-JTQLQIEISA-N 1 2 354.338 0.509 20 5 FCBDLO COc1ccc(CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000530719811 490920957 /nfs/dbraw/zinc/92/09/57/490920957.db2.gz WEYQJKHRLIZESE-CQSZACIVSA-N 1 2 367.402 0.297 20 5 FCBDLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544078273 490956631 /nfs/dbraw/zinc/95/66/31/490956631.db2.gz NQSCVKCOSZFGIE-GFCCVEGCSA-N 1 2 355.372 0.683 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531911865 490980828 /nfs/dbraw/zinc/98/08/28/490980828.db2.gz ZVXZTKCKGMTARY-STQMWFEESA-N 1 2 370.431 0.912 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+]2CCOCC2)n1 ZINC000557588669 491385400 /nfs/dbraw/zinc/38/54/00/491385400.db2.gz PHCYAZLBWFMELU-OAHLLOKOSA-N 1 2 354.363 0.272 20 5 FCBDLO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000566849025 491470895 /nfs/dbraw/zinc/47/08/95/491470895.db2.gz NYLWUHJSUBXLAA-CZUORRHYSA-N 1 2 351.403 0.850 20 5 FCBDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000567720591 491524860 /nfs/dbraw/zinc/52/48/60/491524860.db2.gz OORGXBBCASREIG-KGLIPLIRSA-N 1 2 356.379 0.100 20 5 FCBDLO Cc1nn(C)c(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000568554341 491586413 /nfs/dbraw/zinc/58/64/13/491586413.db2.gz UURSHBACVLQJSD-UHFFFAOYSA-N 1 2 372.389 0.909 20 5 FCBDLO COc1cc[nH+]cc1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000562051210 491650651 /nfs/dbraw/zinc/65/06/51/491650651.db2.gz FMIKSMOIAQHTDU-UHFFFAOYSA-N 1 2 370.321 0.911 20 5 FCBDLO [NH3+]C1(c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000578892022 491686659 /nfs/dbraw/zinc/68/66/59/491686659.db2.gz WBKJPRUCBIRWKO-UHFFFAOYSA-N 1 2 353.360 0.794 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000588867216 491750825 /nfs/dbraw/zinc/75/08/25/491750825.db2.gz LSMLOXJHWWMDEK-LBPRGKRZSA-N 1 2 371.415 0.185 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000589206546 491757455 /nfs/dbraw/zinc/75/74/55/491757455.db2.gz XPHQTUYNXPXEIY-LLVKDONJSA-N 1 2 351.359 0.857 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000589206546 491757457 /nfs/dbraw/zinc/75/74/57/491757457.db2.gz XPHQTUYNXPXEIY-LLVKDONJSA-N 1 2 351.359 0.857 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000589496288 491762939 /nfs/dbraw/zinc/76/29/39/491762939.db2.gz GOQIOUAOYSIVQT-CYBMUJFWSA-N 1 2 371.415 0.895 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000589496288 491762941 /nfs/dbraw/zinc/76/29/41/491762941.db2.gz GOQIOUAOYSIVQT-CYBMUJFWSA-N 1 2 371.415 0.895 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000590555679 491779139 /nfs/dbraw/zinc/77/91/39/491779139.db2.gz UAKOJOWYLGPTSV-CYBMUJFWSA-N 1 2 369.447 0.458 20 5 FCBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590576226 491779725 /nfs/dbraw/zinc/77/97/25/491779725.db2.gz CXJKZQSQTPHYDV-UHFFFAOYSA-N 1 2 371.401 1.281 20 5 FCBDLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000612092743 491897971 /nfs/dbraw/zinc/89/79/71/491897971.db2.gz MFJKXKJUQWWTFF-GFCCVEGCSA-N 1 2 358.416 0.844 20 5 FCBDLO Cc1noc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595550301 491941580 /nfs/dbraw/zinc/94/15/80/491941580.db2.gz ABILROVMDKGPET-UHFFFAOYSA-N 1 2 353.379 0.897 20 5 FCBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H]1COCCO1 ZINC000595735774 491951248 /nfs/dbraw/zinc/95/12/48/491951248.db2.gz CNKNFEPEYJSTOI-SNVBAGLBSA-N 1 2 353.331 0.609 20 5 FCBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H]1COCCO1 ZINC000595735774 491951249 /nfs/dbraw/zinc/95/12/49/491951249.db2.gz CNKNFEPEYJSTOI-SNVBAGLBSA-N 1 2 353.331 0.609 20 5 FCBDLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596065988 491974385 /nfs/dbraw/zinc/97/43/85/491974385.db2.gz LLZFGVNZHKUSCM-OAHLLOKOSA-N 1 2 356.386 0.921 20 5 FCBDLO Nc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1[N+](=O)[O-] ZINC000596099291 491975560 /nfs/dbraw/zinc/97/55/60/491975560.db2.gz YUBYFHFYBQIRGB-UHFFFAOYSA-N 1 2 371.401 1.118 20 5 FCBDLO CCN(CC)C(=O)CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602765300 491997196 /nfs/dbraw/zinc/99/71/96/491997196.db2.gz HAKTYDAYVOMJJV-UHFFFAOYSA-N 1 2 352.439 0.586 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602765300 491997197 /nfs/dbraw/zinc/99/71/97/491997197.db2.gz HAKTYDAYVOMJJV-UHFFFAOYSA-N 1 2 352.439 0.586 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000614419176 492028949 /nfs/dbraw/zinc/02/89/49/492028949.db2.gz YIMKYKPODBLUAO-ZDUSSCGKSA-N 1 2 351.388 0.907 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000614419176 492028950 /nfs/dbraw/zinc/02/89/50/492028950.db2.gz YIMKYKPODBLUAO-ZDUSSCGKSA-N 1 2 351.388 0.907 20 5 FCBDLO Cc1nn(C)c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000604383443 492059557 /nfs/dbraw/zinc/05/95/57/492059557.db2.gz CDRSOMVQNZYQCI-OAHLLOKOSA-N 1 2 369.447 0.574 20 5 FCBDLO CC1(C)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614853842 492060271 /nfs/dbraw/zinc/06/02/71/492060271.db2.gz HSSFUVVCOOKZQN-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO CC1(C)CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614853842 492060273 /nfs/dbraw/zinc/06/02/73/492060273.db2.gz HSSFUVVCOOKZQN-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO Cc1c(C(=O)N[C@H](C)c2[nH+]ccn2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598459558 492100104 /nfs/dbraw/zinc/10/01/04/492100104.db2.gz IILPJIJLPROCLS-SECBINFHSA-N 1 2 367.387 0.775 20 5 FCBDLO C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598463792 492100424 /nfs/dbraw/zinc/10/04/24/492100424.db2.gz CJEPQHOPZHKDGM-JTQLQIEISA-N 1 2 367.387 0.484 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598589757 492106363 /nfs/dbraw/zinc/10/63/63/492106363.db2.gz ITGPZXFZEDMZHI-GFCCVEGCSA-N 1 2 352.395 0.354 20 5 FCBDLO CCOCC[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598594982 492106461 /nfs/dbraw/zinc/10/64/61/492106461.db2.gz PXVCQBOFHSAOLI-UHFFFAOYSA-N 1 2 366.422 0.380 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609143685 492198915 /nfs/dbraw/zinc/19/89/15/492198915.db2.gz KLFMSVFCJLRZHY-ZDUSSCGKSA-N 1 2 351.407 0.653 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000609709139 492219985 /nfs/dbraw/zinc/21/99/85/492219985.db2.gz CATNIMWHLLKSOM-HIFRSBDPSA-N 1 2 373.406 0.321 20 5 FCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000609843601 492224520 /nfs/dbraw/zinc/22/45/20/492224520.db2.gz MRSFQTOPAKHFHE-ZDUSSCGKSA-N 1 2 368.438 0.618 20 5 FCBDLO COC1(CO)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000618551318 492231387 /nfs/dbraw/zinc/23/13/87/492231387.db2.gz VAXLABYHQCGXIG-UHFFFAOYSA-N 1 2 358.416 0.842 20 5 FCBDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610260647 492240282 /nfs/dbraw/zinc/24/02/82/492240282.db2.gz VYPLFTUMWLUVOS-GFCCVEGCSA-N 1 2 358.420 0.625 20 5 FCBDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610260647 492240284 /nfs/dbraw/zinc/24/02/84/492240284.db2.gz VYPLFTUMWLUVOS-GFCCVEGCSA-N 1 2 358.420 0.625 20 5 FCBDLO CCC(CC)C(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610335788 492242741 /nfs/dbraw/zinc/24/27/41/492242741.db2.gz QBVTZGTYKVCNEW-OAHLLOKOSA-N 1 2 353.423 0.733 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000619492113 492266113 /nfs/dbraw/zinc/26/61/13/492266113.db2.gz VIMUYMQLPAHEDD-CMPLNLGQSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000619492113 492266114 /nfs/dbraw/zinc/26/61/14/492266114.db2.gz VIMUYMQLPAHEDD-CMPLNLGQSA-N 1 2 359.404 0.601 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000619872858 492280722 /nfs/dbraw/zinc/28/07/22/492280722.db2.gz MOZIQIOQLPLZBX-UHFFFAOYSA-N 1 2 363.378 0.785 20 5 FCBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]21 ZINC000611199794 492281183 /nfs/dbraw/zinc/28/11/83/492281183.db2.gz VOLMGWADKIUHDL-CVEARBPZSA-N 1 2 357.370 0.936 20 5 FCBDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]21 ZINC000611199794 492281184 /nfs/dbraw/zinc/28/11/84/492281184.db2.gz VOLMGWADKIUHDL-CVEARBPZSA-N 1 2 357.370 0.936 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000611234127 492282513 /nfs/dbraw/zinc/28/25/13/492282513.db2.gz VJCIFSTYPYQSFZ-AWEZNQCLSA-N 1 2 355.420 0.266 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253083 492283118 /nfs/dbraw/zinc/28/31/18/492283118.db2.gz RFUQQJBBPKIMNF-UHFFFAOYSA-N 1 2 364.402 0.572 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCO1 ZINC000611540038 492289971 /nfs/dbraw/zinc/28/99/71/492289971.db2.gz ZGNYNDXRNPINGP-IUODEOHRSA-N 1 2 357.432 0.776 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000611540038 492289972 /nfs/dbraw/zinc/28/99/72/492289972.db2.gz ZGNYNDXRNPINGP-IUODEOHRSA-N 1 2 357.432 0.776 20 5 FCBDLO COc1cccc(C(F)(F)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591766645 546941205 /nfs/dbraw/zinc/94/12/05/546941205.db2.gz RITIBRSUELFXCL-NSHDSACASA-N 1 2 357.317 0.937 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592201858 546946219 /nfs/dbraw/zinc/94/62/19/546946219.db2.gz 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FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000823621173 607162264 /nfs/dbraw/zinc/16/22/64/607162264.db2.gz XZHKEOZDOHTUHF-UHFFFAOYSA-N 1 2 353.346 0.892 20 5 FCBDLO CC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000820993717 607174314 /nfs/dbraw/zinc/17/43/14/607174314.db2.gz ARKYWOVSRGDOEV-DGCLKSJQSA-N 1 2 374.405 0.717 20 5 FCBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063900 663398716 /nfs/dbraw/zinc/39/87/16/663398716.db2.gz NZQHPNSZRMDRIA-ULAWRXDQSA-N 1 2 365.337 0.959 20 5 FCBDLO CN(C)c1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ns1 ZINC000983648922 664978073 /nfs/dbraw/zinc/97/80/73/664978073.db2.gz MHIMRWINIFUHKH-GWOFURMSSA-N 1 2 354.436 0.254 20 5 FCBDLO CC(C)Cc1noc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983655578 664980031 /nfs/dbraw/zinc/98/00/31/664980031.db2.gz TVUBFPZKKMVXCK-FDYHWXHSSA-N 1 2 351.407 0.918 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000897234214 665153957 /nfs/dbraw/zinc/15/39/57/665153957.db2.gz FWYTYBLQZWYLBE-AWEZNQCLSA-N 1 2 351.403 0.977 20 5 FCBDLO Cc1cc(F)cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000151763004 666644865 /nfs/dbraw/zinc/64/48/65/666644865.db2.gz NIHTYPUVHVQZMF-ZDUSSCGKSA-N 1 2 355.366 0.807 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000731631656 666828387 /nfs/dbraw/zinc/82/83/87/666828387.db2.gz BTMUVINMBKNAKL-LBPRGKRZSA-N 1 2 351.359 0.623 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000731631656 666828390 /nfs/dbraw/zinc/82/83/90/666828390.db2.gz BTMUVINMBKNAKL-LBPRGKRZSA-N 1 2 351.359 0.623 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000731648613 666828739 /nfs/dbraw/zinc/82/87/39/666828739.db2.gz PDXZZDHYLMLTCO-UHFFFAOYSA-N 1 2 369.443 0.763 20 5 FCBDLO O=C(NC1CC[NH+](Cc2noc3c2COCC3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788056 667561753 /nfs/dbraw/zinc/56/17/53/667561753.db2.gz MIHSKJZIPVPRFH-BXUZGUMPSA-N 1 2 350.375 0.493 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000754487902 667598714 /nfs/dbraw/zinc/59/87/14/667598714.db2.gz DMZFRIDZDCUDKA-VWLOTQADSA-N 1 2 366.443 0.980 20 5 FCBDLO CCn1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001005383673 667738670 /nfs/dbraw/zinc/73/86/70/667738670.db2.gz UVJUDLRTVDCEOG-UKRRQHHQSA-N 1 2 350.423 0.694 20 5 FCBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000742237002 668029955 /nfs/dbraw/zinc/02/99/55/668029955.db2.gz CJAINWSTSUCMNS-UHFFFAOYSA-N 1 2 358.345 0.944 20 5 FCBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000742237002 668029958 /nfs/dbraw/zinc/02/99/58/668029958.db2.gz CJAINWSTSUCMNS-UHFFFAOYSA-N 1 2 358.345 0.944 20 5 FCBDLO COC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000778013345 668346805 /nfs/dbraw/zinc/34/68/05/668346805.db2.gz BLXGHMFZYRKNIQ-UHFFFAOYSA-N 1 2 358.376 0.757 20 5 FCBDLO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840420637 669167697 /nfs/dbraw/zinc/16/76/97/669167697.db2.gz MQXILNMRVOIWOB-CHWSQXEVSA-N 1 2 356.404 0.130 20 5 FCBDLO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840420637 669167705 /nfs/dbraw/zinc/16/77/05/669167705.db2.gz MQXILNMRVOIWOB-CHWSQXEVSA-N 1 2 356.404 0.130 20 5 FCBDLO COCCOCCN1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000844467417 670924974 /nfs/dbraw/zinc/92/49/74/670924974.db2.gz KIVRJKQJKKBRFY-QGZVFWFLSA-N 1 2 353.419 0.909 20 5 FCBDLO C[C@@H]1C[N@H+](CCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000800083173 673413962 /nfs/dbraw/zinc/41/39/62/673413962.db2.gz ZVMHPRQPENYQBQ-GFCCVEGCSA-N 1 2 351.359 0.589 20 5 FCBDLO C[C@@H]1C[N@@H+](CCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000800083173 673413963 /nfs/dbraw/zinc/41/39/63/673413963.db2.gz ZVMHPRQPENYQBQ-GFCCVEGCSA-N 1 2 351.359 0.589 20 5 FCBDLO O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000974110331 1182998133 /nfs/dbraw/zinc/99/81/33/1182998133.db2.gz SRTXYLWRANYEGM-OCVGTWLNSA-N 1 2 369.381 0.915 20 5 FCBDLO COc1cncc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981763377 1186513720 /nfs/dbraw/zinc/51/37/20/1186513720.db2.gz HRBADICSKCWEOI-ZIAGYGMSSA-N 1 2 361.402 0.575 20 5 FCBDLO COc1cncc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000981763377 1186513728 /nfs/dbraw/zinc/51/37/28/1186513728.db2.gz HRBADICSKCWEOI-ZIAGYGMSSA-N 1 2 361.402 0.575 20 5 FCBDLO CCn1ncnc1C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278803 1186694899 /nfs/dbraw/zinc/69/48/99/1186694899.db2.gz RMVYFIQOFGYHHO-KFZJALRRSA-N 1 2 362.434 0.634 20 5 FCBDLO CCn1ncnc1C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278803 1186694901 /nfs/dbraw/zinc/69/49/01/1186694901.db2.gz RMVYFIQOFGYHHO-KFZJALRRSA-N 1 2 362.434 0.634 20 5 FCBDLO Cc1ccccc1Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126939232 1194628079 /nfs/dbraw/zinc/62/80/79/1194628079.db2.gz SXEBLGYODPUVNK-ZIAGYGMSSA-N 1 2 359.386 0.840 20 5 FCBDLO O=C(NC1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991293357 1195870106 /nfs/dbraw/zinc/87/01/06/1195870106.db2.gz MSDLUYJBUDOWIZ-HUUCEWRRSA-N 1 2 355.354 0.478 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000592905778 1196587579 /nfs/dbraw/zinc/58/75/79/1196587579.db2.gz AVEIVWPFPSKQAQ-STQMWFEESA-N 1 2 374.353 0.777 20 5 FCBDLO Cn1cc([C@@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000743644353 1198274009 /nfs/dbraw/zinc/27/40/09/1198274009.db2.gz CTUSFTIKPGBKJU-HNNXBMFYSA-N 1 2 356.342 0.977 20 5 FCBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703636 1200898592 /nfs/dbraw/zinc/89/85/92/1200898592.db2.gz OLXUDULEDNFCNO-JTQLQIEISA-N 1 2 367.410 0.612 20 5 FCBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703636 1200898598 /nfs/dbraw/zinc/89/85/98/1200898598.db2.gz OLXUDULEDNFCNO-JTQLQIEISA-N 1 2 367.410 0.612 20 5 FCBDLO Cn1c[nH+]cc1CCOC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000793239937 1201231601 /nfs/dbraw/zinc/23/16/01/1201231601.db2.gz XACODJFYPAHNEH-UHFFFAOYSA-N 1 2 360.326 0.840 20 5 FCBDLO NC(=O)Cn1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000813171567 1202991015 /nfs/dbraw/zinc/99/10/15/1202991015.db2.gz ZTMVJBFLVZYNCN-ZDUSSCGKSA-N 1 2 374.357 0.103 20 5 FCBDLO NC(=O)Cn1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000813171567 1202991017 /nfs/dbraw/zinc/99/10/17/1202991017.db2.gz ZTMVJBFLVZYNCN-ZDUSSCGKSA-N 1 2 374.357 0.103 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817179883 1203097491 /nfs/dbraw/zinc/09/74/91/1203097491.db2.gz VMRKXMZTBMNPGH-UHFFFAOYSA-N 1 2 361.358 0.762 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000846121323 1204587182 /nfs/dbraw/zinc/58/71/82/1204587182.db2.gz BNKTVFNGJXIXBC-CXAGYDPISA-N 1 2 374.397 0.799 20 5 FCBDLO Cc1conc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949091728 1212289018 /nfs/dbraw/zinc/28/90/18/1212289018.db2.gz CXDDRVQSAYRILY-UKRRQHHQSA-N 1 2 364.402 0.842 20 5 FCBDLO Cn1nccc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949092268 1212289113 /nfs/dbraw/zinc/28/91/13/1212289113.db2.gz ROZULTNOMCLIPL-HUUCEWRRSA-N 1 2 363.418 0.279 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000949362807 1212361947 /nfs/dbraw/zinc/36/19/47/1212361947.db2.gz WUIZSAYYDSPIDB-HZPDHXFCSA-N 1 2 360.414 0.940 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000949362807 1212361954 /nfs/dbraw/zinc/36/19/54/1212361954.db2.gz WUIZSAYYDSPIDB-HZPDHXFCSA-N 1 2 360.414 0.940 20 5 FCBDLO Cc1nocc1C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949366004 1212363750 /nfs/dbraw/zinc/36/37/50/1212363750.db2.gz PMSUXDQHEJXHRG-HUUCEWRRSA-N 1 2 364.402 0.842 20 5 FCBDLO Cc1nocc1C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949366004 1212363756 /nfs/dbraw/zinc/36/37/56/1212363756.db2.gz PMSUXDQHEJXHRG-HUUCEWRRSA-N 1 2 364.402 0.842 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000952718741 1212972566 /nfs/dbraw/zinc/97/25/66/1212972566.db2.gz MQMVEXVTQBDDAD-LXTVHRRPSA-N 1 2 361.402 0.449 20 5 FCBDLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954470639 1213078778 /nfs/dbraw/zinc/07/87/78/1213078778.db2.gz SQJAEBVDSOIRSK-ZIAGYGMSSA-N 1 2 361.402 0.096 20 5 FCBDLO O=C(CCn1cc[nH+]c1)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010750610 1213813224 /nfs/dbraw/zinc/81/32/24/1213813224.db2.gz OHCKXAOVZODJOQ-ZIAGYGMSSA-N 1 2 361.402 0.389 20 5 FCBDLO C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010976594 1213824163 /nfs/dbraw/zinc/82/41/63/1213824163.db2.gz DPYHXZJYGYRJDA-KFZJALRRSA-N 1 2 361.402 0.314 20 5 FCBDLO Cn1cc[nH+]c1CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019274042 1214227580 /nfs/dbraw/zinc/22/75/80/1214227580.db2.gz JVJPCGFPUAOFCR-CHWSQXEVSA-N 1 2 361.402 0.079 20 5 FCBDLO O=C(Cc1c[nH+]c[nH]1)N1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC000965867551 1215138095 /nfs/dbraw/zinc/13/80/95/1215138095.db2.gz CLSPXGAMBNWJOA-HZPDHXFCSA-N 1 2 369.381 0.776 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000967951485 1215266920 /nfs/dbraw/zinc/26/69/20/1215266920.db2.gz YJPOQGZPFKJWGS-ZIAGYGMSSA-N 1 2 364.402 0.679 20 5 FCBDLO CCn1ncc(C[NH+]2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)n1 ZINC001000153702 1216013013 /nfs/dbraw/zinc/01/30/13/1216013013.db2.gz KNYBBCWAIMPSNJ-HUUCEWRRSA-N 1 2 362.434 0.824 20 5 FCBDLO Cn1ncnc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001001523600 1216232272 /nfs/dbraw/zinc/23/22/72/1216232272.db2.gz MKHYCFYPNFPZKP-TZMCWYRMSA-N 1 2 362.365 0.525 20 5 FCBDLO Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(F)c2)nn1 ZINC001001523723 1216232862 /nfs/dbraw/zinc/23/28/62/1216232862.db2.gz NKQJGPUXJZGBOE-UKRRQHHQSA-N 1 2 362.365 0.525 20 5 FCBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCN1CC2 ZINC000781708530 1221092533 /nfs/dbraw/zinc/09/25/33/1221092533.db2.gz LDIGTXKUKUUCTM-AWEZNQCLSA-N 1 2 363.374 0.552 20 5 FCBDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000842964963 1222855304 /nfs/dbraw/zinc/85/53/04/1222855304.db2.gz HAMMGUAELVCSAY-OCCSQVGLSA-N 1 2 370.406 0.769 20 5 FCBDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000842964963 1222855305 /nfs/dbraw/zinc/85/53/05/1222855305.db2.gz HAMMGUAELVCSAY-OCCSQVGLSA-N 1 2 370.406 0.769 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccn(C)n2)CC1 ZINC001162264189 1223212191 /nfs/dbraw/zinc/21/21/91/1223212191.db2.gz FNXORLBLPAOVSP-HUUCEWRRSA-N 1 2 365.434 0.430 20 5 FCBDLO CC(C)c1[nH+]ccn1CC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000946706944 1247966648 /nfs/dbraw/zinc/96/66/48/1247966648.db2.gz WIHGZTVODTVTAM-ZIAGYGMSSA-N 1 2 363.418 0.779 20 5 FCBDLO C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21 ZINC000977064616 1248533908 /nfs/dbraw/zinc/53/39/08/1248533908.db2.gz JCOLLZBFWXYGMJ-RGDJUOJXSA-N 1 2 362.386 0.193 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2c[nH]c(=O)c([N+](=O)[O-])c2)n1C ZINC001520049195 1265838082 /nfs/dbraw/zinc/83/80/82/1265838082.db2.gz ICXPFAUHGJHKFH-UHFFFAOYSA-N 1 2 363.378 0.259 20 5 FCBDLO COCCCCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC001128341723 1259196196 /nfs/dbraw/zinc/19/61/96/1259196196.db2.gz LMUYQWOPLWCIBA-HUUCEWRRSA-N 1 2 365.434 0.797 20 5 FCBDLO COCCCCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC001128341723 1259196200 /nfs/dbraw/zinc/19/62/00/1259196200.db2.gz LMUYQWOPLWCIBA-HUUCEWRRSA-N 1 2 365.434 0.797 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001326853815 1265183934 /nfs/dbraw/zinc/18/39/34/1265183934.db2.gz DBCACVOWGOZGFN-UHFFFAOYSA-N 1 2 364.402 0.344 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001327151198 1265242118 /nfs/dbraw/zinc/24/21/18/1265242118.db2.gz LDSRUZICJBADIR-UHFFFAOYSA-N 1 2 362.386 0.228 20 5 FCBDLO Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001343461075 1269915980 /nfs/dbraw/zinc/91/59/80/1269915980.db2.gz NRSXOWKNGAUIQA-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO Cn1cc(C[NH+]2CCN(c3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC2)cn1 ZINC001592571368 1285487193 /nfs/dbraw/zinc/48/71/93/1285487193.db2.gz BXMPGUVKMPRIJQ-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592589865 1285518799 /nfs/dbraw/zinc/51/87/99/1285518799.db2.gz XKECWOJBLNNADT-UHFFFAOYSA-N 1 2 371.361 0.279 20 5 FCBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001593414956 1286139500 /nfs/dbraw/zinc/13/95/00/1286139500.db2.gz QHJCRBMFXAEHMC-GFCCVEGCSA-N 1 2 374.361 0.362 20 5 FCBDLO Cn1cc[nH+]c1Cn1cc(-c2nn[nH]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609481082 1289174707 /nfs/dbraw/zinc/17/47/07/1289174707.db2.gz VHUPITHGJPPIMM-UHFFFAOYSA-N 1 2 352.314 0.872 20 5 FCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609156203 1288955021 /nfs/dbraw/zinc/95/50/21/1288955021.db2.gz DIJVWPWOFAKZOR-MNOVXSKESA-N 1 2 360.378 0.469 20 5 FCBDLO Cc1cc(CN2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001690057423 1294854020 /nfs/dbraw/zinc/85/40/20/1294854020.db2.gz ANLMVDLGDBXNON-HUUCEWRRSA-N 1 2 367.475 0.741 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746465633 836183491 /nfs/dbraw/zinc/18/34/91/836183491.db2.gz ZGJYHBFTCPKPEO-SHZVTRLKSA-N 1 2 368.459 0.918 20 5 FCBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746474769 836186301 /nfs/dbraw/zinc/18/63/01/836186301.db2.gz OYSRLWCMNLHAGN-SHZVTRLKSA-N 1 2 368.459 0.918 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000748455267 836306624 /nfs/dbraw/zinc/30/66/24/836306624.db2.gz GIPCSLPXPINADA-CYBMUJFWSA-N 1 2 355.322 0.936 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000748455267 836306633 /nfs/dbraw/zinc/30/66/33/836306633.db2.gz GIPCSLPXPINADA-CYBMUJFWSA-N 1 2 355.322 0.936 20 5 FCBDLO CCc1n[nH]c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC001116782738 846765465 /nfs/dbraw/zinc/76/54/65/846765465.db2.gz DFFUCVQLBITSFU-UHFFFAOYSA-N 1 2 373.435 0.119 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001118261201 847351323 /nfs/dbraw/zinc/35/13/23/847351323.db2.gz PMWCUPKGLMGQHD-CYBMUJFWSA-N 1 2 351.359 0.889 20 5 FCBDLO CN(CC1CC1)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506259 849583043 /nfs/dbraw/zinc/58/30/43/849583043.db2.gz FCUZBYOOLSAXHA-ZIAGYGMSSA-N 1 2 350.419 0.054 20 5 FCBDLO CN(CC1CC1)C(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506259 849583047 /nfs/dbraw/zinc/58/30/47/849583047.db2.gz FCUZBYOOLSAXHA-ZIAGYGMSSA-N 1 2 350.419 0.054 20 5 FCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@@H]1CO ZINC001151358889 849685208 /nfs/dbraw/zinc/68/52/08/849685208.db2.gz JQMZQUMZKSLKFE-GFCCVEGCSA-N 1 2 355.416 0.428 20 5 FCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@@H]1CO ZINC001151358889 849685210 /nfs/dbraw/zinc/68/52/10/849685210.db2.gz JQMZQUMZKSLKFE-GFCCVEGCSA-N 1 2 355.416 0.428 20 5 FCBDLO CCCCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160096981 850154097 /nfs/dbraw/zinc/15/40/97/850154097.db2.gz DJZKJEGQRFQDAD-HUUCEWRRSA-N 1 2 352.435 0.706 20 5 FCBDLO CCCCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160096981 850154104 /nfs/dbraw/zinc/15/41/04/850154104.db2.gz DJZKJEGQRFQDAD-HUUCEWRRSA-N 1 2 352.435 0.706 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cnon2)CC1 ZINC001162263961 850302876 /nfs/dbraw/zinc/30/28/76/850302876.db2.gz BBXRESFNXLLRCS-CHWSQXEVSA-N 1 2 353.379 0.080 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(C)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001163412469 850366864 /nfs/dbraw/zinc/36/68/64/850366864.db2.gz PCGRZADDHMGGNK-VIFPVBQESA-N 1 2 354.754 0.965 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C[NH2+]1 ZINC001169132507 850606149 /nfs/dbraw/zinc/60/61/49/850606149.db2.gz OJPZGCXERTZLTM-SVRRBLITSA-N 1 2 361.152 0.306 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC001329490850 872064679 /nfs/dbraw/zinc/06/46/79/872064679.db2.gz OUOPELCRQIXJLX-CYBMUJFWSA-N 1 2 351.359 0.971 20 5 FCBDLO CN1C[C@@H](C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1=O ZINC001348620928 872743812 /nfs/dbraw/zinc/74/38/12/872743812.db2.gz KMJXNZFDASVQFW-GFCCVEGCSA-N 1 2 372.403 0.256 20 5 FCBDLO CN1C[C@@H](C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1=O ZINC001348620928 872743819 /nfs/dbraw/zinc/74/38/19/872743819.db2.gz KMJXNZFDASVQFW-GFCCVEGCSA-N 1 2 372.403 0.256 20 5 FCBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292140872 214080248 /nfs/dbraw/zinc/08/02/48/214080248.db2.gz JLPCGQQQNNSJKV-ZDUSSCGKSA-N 1 2 371.415 0.927 20 5 FCBDLO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292140872 214080250 /nfs/dbraw/zinc/08/02/50/214080250.db2.gz JLPCGQQQNNSJKV-ZDUSSCGKSA-N 1 2 371.415 0.927 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295940097 214325291 /nfs/dbraw/zinc/32/52/91/214325291.db2.gz GRJXXTPQEQFDPA-NSHDSACASA-N 1 2 368.365 0.818 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000297008285 214375065 /nfs/dbraw/zinc/37/50/65/214375065.db2.gz QJCUDWCUPJZPCL-UHFFFAOYSA-N 1 2 368.365 0.771 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1[N+](=O)[O-] ZINC000265340642 210101311 /nfs/dbraw/zinc/10/13/11/210101311.db2.gz VJKDCTRXUDPKKI-UHFFFAOYSA-N 1 2 361.406 0.935 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000265180404 210068903 /nfs/dbraw/zinc/06/89/03/210068903.db2.gz DNPCIUCIGZILKB-UHFFFAOYSA-N 1 2 370.431 0.392 20 5 FCBDLO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)C1=O ZINC000332420730 215149213 /nfs/dbraw/zinc/14/92/13/215149213.db2.gz WMMHOYVAKFWRFX-CQSZACIVSA-N 1 2 362.386 0.725 20 5 FCBDLO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000264336259 209863313 /nfs/dbraw/zinc/86/33/13/209863313.db2.gz OSBWAFBBQXWAIN-RYUDHWBXSA-N 1 2 350.375 0.759 20 5 FCBDLO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284674141 213195329 /nfs/dbraw/zinc/19/53/29/213195329.db2.gz NOHPIZHTYXXZTL-CVEARBPZSA-N 1 2 369.443 0.872 20 5 FCBDLO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000284674141 213195331 /nfs/dbraw/zinc/19/53/31/213195331.db2.gz NOHPIZHTYXXZTL-CVEARBPZSA-N 1 2 369.443 0.872 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000283791984 213008766 /nfs/dbraw/zinc/00/87/66/213008766.db2.gz SBURNTATDYFWPB-ZDUSSCGKSA-N 1 2 367.402 0.819 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000365261077 215800476 /nfs/dbraw/zinc/80/04/76/215800476.db2.gz BLEQLBIEDBZNNC-UHFFFAOYSA-N 1 2 361.402 0.484 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000365261077 215800480 /nfs/dbraw/zinc/80/04/80/215800480.db2.gz BLEQLBIEDBZNNC-UHFFFAOYSA-N 1 2 361.402 0.484 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000366598357 216001122 /nfs/dbraw/zinc/00/11/22/216001122.db2.gz BSMIHKFSQJFLSI-OAHLLOKOSA-N 1 2 369.385 0.791 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1 ZINC000366598357 216001126 /nfs/dbraw/zinc/00/11/26/216001126.db2.gz BSMIHKFSQJFLSI-OAHLLOKOSA-N 1 2 369.385 0.791 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000367491702 216130399 /nfs/dbraw/zinc/13/03/99/216130399.db2.gz WPLTUHOUHBWHRC-SNVBAGLBSA-N 1 2 351.331 0.831 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000367603133 216140642 /nfs/dbraw/zinc/14/06/42/216140642.db2.gz KJJGKQUTILTZSQ-CORIIIEPSA-N 1 2 356.400 0.453 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1 ZINC000367603133 216140646 /nfs/dbraw/zinc/14/06/46/216140646.db2.gz KJJGKQUTILTZSQ-CORIIIEPSA-N 1 2 356.400 0.453 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000190108947 209266683 /nfs/dbraw/zinc/26/66/83/209266683.db2.gz ANCWGAOMOBYUSJ-UHFFFAOYSA-N 1 2 357.432 0.900 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000189084697 209245103 /nfs/dbraw/zinc/24/51/03/209245103.db2.gz DASHENUEKBRROU-GHMZBOCLSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000189084697 209245104 /nfs/dbraw/zinc/24/51/04/209245104.db2.gz DASHENUEKBRROU-GHMZBOCLSA-N 1 2 361.395 0.810 20 5 FCBDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188777193 209238865 /nfs/dbraw/zinc/23/88/65/209238865.db2.gz WDYARGPAQGDCIF-SNVBAGLBSA-N 1 2 357.374 0.685 20 5 FCBDLO COC(=O)c1cc(NC(=O)N2CC[NH+](CCO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277066338 212324298 /nfs/dbraw/zinc/32/42/98/212324298.db2.gz AZDCQGHOLHLRPS-UHFFFAOYSA-N 1 2 366.374 0.832 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000187962770 209221381 /nfs/dbraw/zinc/22/13/81/209221381.db2.gz ZQAPGNBLMOSNER-JTQLQIEISA-N 1 2 363.823 0.935 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276456263 212236069 /nfs/dbraw/zinc/23/60/69/212236069.db2.gz BIBLSAIOINOHDG-NSHDSACASA-N 1 2 350.375 0.886 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000275655904 212068588 /nfs/dbraw/zinc/06/85/88/212068588.db2.gz LZHZWMULQQEQGF-LLVKDONJSA-N 1 2 359.404 0.291 20 5 FCBDLO NC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275658131 212068322 /nfs/dbraw/zinc/06/83/22/212068322.db2.gz VCFWJVYTYGFQDJ-LBPRGKRZSA-N 1 2 356.379 0.965 20 5 FCBDLO NC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275658131 212068324 /nfs/dbraw/zinc/06/83/24/212068324.db2.gz VCFWJVYTYGFQDJ-LBPRGKRZSA-N 1 2 356.379 0.965 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000275429648 212027235 /nfs/dbraw/zinc/02/72/35/212027235.db2.gz FAGNEWLRNBDTFY-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000275429648 212027241 /nfs/dbraw/zinc/02/72/41/212027241.db2.gz FAGNEWLRNBDTFY-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425381993 247327599 /nfs/dbraw/zinc/32/75/99/247327599.db2.gz HAMDFHSWGFIHOX-UHFFFAOYSA-N 1 2 357.208 0.960 20 5 FCBDLO CCOc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])cc1OC ZINC000437012044 248057607 /nfs/dbraw/zinc/05/76/07/248057607.db2.gz DGVZKETVLZBNAU-GFCCVEGCSA-N 1 2 364.402 0.732 20 5 FCBDLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271349836 211384961 /nfs/dbraw/zinc/38/49/61/211384961.db2.gz HBFMFEWETMWXTG-NSHDSACASA-N 1 2 351.359 0.922 20 5 FCBDLO COc1cc(CN(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000271181799 211351455 /nfs/dbraw/zinc/35/14/55/211351455.db2.gz HYXXYWLPHQSRJM-CQSZACIVSA-N 1 2 369.418 0.737 20 5 FCBDLO C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000270864539 211286730 /nfs/dbraw/zinc/28/67/30/211286730.db2.gz MDSGPYYQCQYJKO-LBPRGKRZSA-N 1 2 373.369 0.446 20 5 FCBDLO COCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000270557527 211222817 /nfs/dbraw/zinc/22/28/17/211222817.db2.gz JETYOJSXEGPKIF-AWEZNQCLSA-N 1 2 373.431 0.282 20 5 FCBDLO COCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000270557527 211222822 /nfs/dbraw/zinc/22/28/22/211222822.db2.gz JETYOJSXEGPKIF-AWEZNQCLSA-N 1 2 373.431 0.282 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270518386 211214536 /nfs/dbraw/zinc/21/45/36/211214536.db2.gz MJZCNTJEDMZYBT-INIZCTEOSA-N 1 2 366.418 0.472 20 5 FCBDLO CS(=O)(=O)NCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472354293 250146665 /nfs/dbraw/zinc/14/66/65/250146665.db2.gz IFAQNIBDNXYGRM-UHFFFAOYSA-N 1 2 372.447 0.778 20 5 FCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269896143 211112052 /nfs/dbraw/zinc/11/20/52/211112052.db2.gz FHTUVHMXUVBFPT-UHFFFAOYSA-N 1 2 361.402 0.721 20 5 FCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269896143 211112058 /nfs/dbraw/zinc/11/20/58/211112058.db2.gz FHTUVHMXUVBFPT-UHFFFAOYSA-N 1 2 361.402 0.721 20 5 FCBDLO Cn1nnnc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481206885 250321758 /nfs/dbraw/zinc/32/17/58/250321758.db2.gz PUHWDUABTNHUAA-UHFFFAOYSA-N 1 2 357.378 0.707 20 5 FCBDLO Cn1nnnc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481206885 250321763 /nfs/dbraw/zinc/32/17/63/250321763.db2.gz PUHWDUABTNHUAA-UHFFFAOYSA-N 1 2 357.378 0.707 20 5 FCBDLO CCOCC[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000110917867 208272761 /nfs/dbraw/zinc/27/27/61/208272761.db2.gz FVSQQVBAQVTWIP-UHFFFAOYSA-N 1 2 374.401 0.970 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266361980 210325594 /nfs/dbraw/zinc/32/55/94/210325594.db2.gz PUZGJPDODLSZLD-ZDUSSCGKSA-N 1 2 350.375 0.080 20 5 FCBDLO O=C(CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000266061497 210274995 /nfs/dbraw/zinc/27/49/95/210274995.db2.gz ZBFLIKKCJBUWME-UHFFFAOYSA-N 1 2 350.423 0.421 20 5 FCBDLO O=C(C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000266061497 210274999 /nfs/dbraw/zinc/27/49/99/210274999.db2.gz ZBFLIKKCJBUWME-UHFFFAOYSA-N 1 2 350.423 0.421 20 5 FCBDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000480213992 484543345 /nfs/dbraw/zinc/54/33/45/484543345.db2.gz ASPVYMLKUACSPB-QWRGUYRKSA-N 1 2 350.358 0.147 20 5 FCBDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000480213992 484543350 /nfs/dbraw/zinc/54/33/50/484543350.db2.gz ASPVYMLKUACSPB-QWRGUYRKSA-N 1 2 350.358 0.147 20 5 FCBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301786086 488883759 /nfs/dbraw/zinc/88/37/59/488883759.db2.gz LIAWKVLJFZMQNP-CYBMUJFWSA-N 1 2 366.422 0.006 20 5 FCBDLO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363926610 488902057 /nfs/dbraw/zinc/90/20/57/488902057.db2.gz YPJNMHFDINLQJJ-HNNXBMFYSA-N 1 2 372.385 0.722 20 5 FCBDLO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000364386683 488953943 /nfs/dbraw/zinc/95/39/43/488953943.db2.gz POMGJUVBEYZBTE-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO CCS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000052112974 488156635 /nfs/dbraw/zinc/15/66/35/488156635.db2.gz CZAURQKEDYOAPA-CQSZACIVSA-N 1 2 373.431 0.302 20 5 FCBDLO COc1ccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000058192559 488280246 /nfs/dbraw/zinc/28/02/46/488280246.db2.gz HUSQYACSHIAORC-UHFFFAOYSA-N 1 2 350.375 0.497 20 5 FCBDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000058208253 488280916 /nfs/dbraw/zinc/28/09/16/488280916.db2.gz GDSJRDYZJIWDJN-UHFFFAOYSA-N 1 2 371.415 0.773 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000063467426 488304675 /nfs/dbraw/zinc/30/46/75/488304675.db2.gz YOFBTWLLPNXDFJ-UHFFFAOYSA-N 1 2 372.385 0.414 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000063467426 488304677 /nfs/dbraw/zinc/30/46/77/488304677.db2.gz YOFBTWLLPNXDFJ-UHFFFAOYSA-N 1 2 372.385 0.414 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000067794291 488355864 /nfs/dbraw/zinc/35/58/64/488355864.db2.gz KRYMMHBKAQQVBK-UHFFFAOYSA-N 1 2 364.402 0.887 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000067794291 488355865 /nfs/dbraw/zinc/35/58/65/488355865.db2.gz KRYMMHBKAQQVBK-UHFFFAOYSA-N 1 2 364.402 0.887 20 5 FCBDLO COc1ccc(CC(=O)N2CC[NH+](CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000067900817 488358175 /nfs/dbraw/zinc/35/81/75/488358175.db2.gz QQCNNODMXZREGN-UHFFFAOYSA-N 1 2 364.402 0.378 20 5 FCBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000073117865 488383889 /nfs/dbraw/zinc/38/38/89/488383889.db2.gz SUWSLNJDNXZMAP-NSHDSACASA-N 1 2 352.420 0.817 20 5 FCBDLO C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000183069639 488391083 /nfs/dbraw/zinc/39/10/83/488391083.db2.gz LXICYIBQYJMNBU-OCCSQVGLSA-N 1 2 369.393 0.989 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCN(C)CC1 ZINC000077616111 488416062 /nfs/dbraw/zinc/41/60/62/488416062.db2.gz WLWMBYFNEOQWIV-CYBMUJFWSA-N 1 2 356.448 0.757 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078659513 488424274 /nfs/dbraw/zinc/42/42/74/488424274.db2.gz PWPBEFQVKGKHHL-CQSZACIVSA-N 1 2 365.434 0.961 20 5 FCBDLO CNC(=O)Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000194346845 488432159 /nfs/dbraw/zinc/43/21/59/488432159.db2.gz BXWVFCVSIZRTDG-UHFFFAOYSA-N 1 2 369.341 0.975 20 5 FCBDLO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245983 488447413 /nfs/dbraw/zinc/44/74/13/488447413.db2.gz LBEWVHGHIFYYFU-ZDUSSCGKSA-N 1 2 350.375 0.861 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC000268908386 488456672 /nfs/dbraw/zinc/45/66/72/488456672.db2.gz YFSXJCSJYACGDL-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1C ZINC000268908386 488456673 /nfs/dbraw/zinc/45/66/73/488456673.db2.gz YFSXJCSJYACGDL-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO CCc1nn(C)c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000092827897 488476319 /nfs/dbraw/zinc/47/63/19/488476319.db2.gz VRIHCPHFUUXNKI-UHFFFAOYSA-N 1 2 371.405 0.894 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269338957 488493637 /nfs/dbraw/zinc/49/36/37/488493637.db2.gz CQMGYFVHCUZQPT-UHFFFAOYSA-N 1 2 352.395 0.335 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249173888 488507050 /nfs/dbraw/zinc/50/70/50/488507050.db2.gz LTLKBFHAWBDXCO-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249173888 488507053 /nfs/dbraw/zinc/50/70/53/488507053.db2.gz LTLKBFHAWBDXCO-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249228702 488507612 /nfs/dbraw/zinc/50/76/12/488507612.db2.gz VFRSUAOPQZZDAZ-RYUDHWBXSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249228702 488507614 /nfs/dbraw/zinc/50/76/14/488507614.db2.gz VFRSUAOPQZZDAZ-RYUDHWBXSA-N 1 2 357.432 0.979 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271517793 488524238 /nfs/dbraw/zinc/52/42/38/488524238.db2.gz GNGOFBHTMJADSE-GFCCVEGCSA-N 1 2 368.415 0.835 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271517793 488524240 /nfs/dbraw/zinc/52/42/40/488524240.db2.gz GNGOFBHTMJADSE-GFCCVEGCSA-N 1 2 368.415 0.835 20 5 FCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262100222 488550333 /nfs/dbraw/zinc/55/03/33/488550333.db2.gz VNVOVARNPVBFNU-LBPRGKRZSA-N 1 2 351.388 0.664 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272299382 488571980 /nfs/dbraw/zinc/57/19/80/488571980.db2.gz WZTXSAXKKLICAK-RISCZKNCSA-N 1 2 360.326 0.529 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000122706279 488580777 /nfs/dbraw/zinc/58/07/77/488580777.db2.gz FZOJOXHIFLMMNE-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263988766 488641230 /nfs/dbraw/zinc/64/12/30/488641230.db2.gz UOMOZGIRRPWJKM-JTQLQIEISA-N 1 2 361.358 0.596 20 5 FCBDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264027376 488644031 /nfs/dbraw/zinc/64/40/31/488644031.db2.gz YPUWKWZJNXWNSI-SNVBAGLBSA-N 1 2 368.371 0.930 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000264141999 488650485 /nfs/dbraw/zinc/65/04/85/488650485.db2.gz OJCWLGMEXLUTRV-NSHDSACASA-N 1 2 370.431 0.922 20 5 FCBDLO O=C(c1ccc(O)cc1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132701767 488654977 /nfs/dbraw/zinc/65/49/77/488654977.db2.gz FRDXBEIYBDHGEV-UHFFFAOYSA-N 1 2 372.381 0.920 20 5 FCBDLO Cc1c(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000554651129 491215671 /nfs/dbraw/zinc/21/56/71/491215671.db2.gz RPATVZSMUIUJOE-GFCCVEGCSA-N 1 2 364.402 0.356 20 5 FCBDLO Cc1c(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000554651129 491215672 /nfs/dbraw/zinc/21/56/72/491215672.db2.gz RPATVZSMUIUJOE-GFCCVEGCSA-N 1 2 364.402 0.356 20 5 FCBDLO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000264346813 488666330 /nfs/dbraw/zinc/66/63/30/488666330.db2.gz ZBHPSNKJHBQIQL-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699587 488682745 /nfs/dbraw/zinc/68/27/45/488682745.db2.gz ZCZDHCSKKWNHIN-YPMHNXCESA-N 1 2 351.359 0.974 20 5 FCBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699587 488682748 /nfs/dbraw/zinc/68/27/48/488682748.db2.gz ZCZDHCSKKWNHIN-YPMHNXCESA-N 1 2 351.359 0.974 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000264580196 488687262 /nfs/dbraw/zinc/68/72/62/488687262.db2.gz CEZMTXPZYFHSTO-UHFFFAOYSA-N 1 2 350.375 0.583 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000274223104 488691670 /nfs/dbraw/zinc/69/16/70/488691670.db2.gz VLIFOALCSPGSOY-STQMWFEESA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000274223104 488691672 /nfs/dbraw/zinc/69/16/72/488691672.db2.gz VLIFOALCSPGSOY-STQMWFEESA-N 1 2 358.416 0.844 20 5 FCBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1)N1CCCC1 ZINC000148166550 488696629 /nfs/dbraw/zinc/69/66/29/488696629.db2.gz CCNKHRAXMNPZIX-UHFFFAOYSA-N 1 2 360.374 0.875 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCC2OCCO2)CC1 ZINC000274354497 488700818 /nfs/dbraw/zinc/70/08/18/488700818.db2.gz ORJFXLJBZTVGCB-UHFFFAOYSA-N 1 2 371.415 0.664 20 5 FCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264752270 488707522 /nfs/dbraw/zinc/70/75/22/488707522.db2.gz MWOAKRDNIGYDBQ-JTQLQIEISA-N 1 2 362.839 0.772 20 5 FCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264752270 488707523 /nfs/dbraw/zinc/70/75/23/488707523.db2.gz MWOAKRDNIGYDBQ-JTQLQIEISA-N 1 2 362.839 0.772 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791400 488712152 /nfs/dbraw/zinc/71/21/52/488712152.db2.gz XFRYCCJAKMMPRU-NSHDSACASA-N 1 2 358.420 0.128 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264791400 488712154 /nfs/dbraw/zinc/71/21/54/488712154.db2.gz XFRYCCJAKMMPRU-NSHDSACASA-N 1 2 358.420 0.128 20 5 FCBDLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266816638 488733396 /nfs/dbraw/zinc/73/33/96/488733396.db2.gz IMRIGSHGQFHZTN-SECBINFHSA-N 1 2 367.387 0.566 20 5 FCBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(F)c1 ZINC000267028647 488754723 /nfs/dbraw/zinc/75/47/23/488754723.db2.gz UREBPQQGYNQONF-LSDHHAIUSA-N 1 2 373.406 0.321 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275084843 488760386 /nfs/dbraw/zinc/76/03/86/488760386.db2.gz ADNIBBSRAVNSHI-NSHDSACASA-N 1 2 366.374 0.067 20 5 FCBDLO CCOC(=O)c1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000275142044 488765659 /nfs/dbraw/zinc/76/56/59/488765659.db2.gz OMBZIAWMAFDKLD-LBPRGKRZSA-N 1 2 365.386 0.910 20 5 FCBDLO O=C(CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)NCc1ccccc1 ZINC000157539388 488772099 /nfs/dbraw/zinc/77/20/99/488772099.db2.gz JKNIZAAXGCPENF-UHFFFAOYSA-N 1 2 372.429 0.725 20 5 FCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000159749023 488787254 /nfs/dbraw/zinc/78/72/54/488787254.db2.gz HZCSFZZBDZSLGF-UHFFFAOYSA-N 1 2 352.395 0.334 20 5 FCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000159749023 488787256 /nfs/dbraw/zinc/78/72/56/488787256.db2.gz HZCSFZZBDZSLGF-UHFFFAOYSA-N 1 2 352.395 0.334 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267662672 488810410 /nfs/dbraw/zinc/81/04/10/488810410.db2.gz ZRSKZEQQINUJEV-ZIAGYGMSSA-N 1 2 366.418 0.547 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000267746061 488817189 /nfs/dbraw/zinc/81/71/89/488817189.db2.gz WGDWHAUCUUZLSN-CYBMUJFWSA-N 1 2 353.375 0.125 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000267746065 488817251 /nfs/dbraw/zinc/81/72/51/488817251.db2.gz WGDWHAUCUUZLSN-ZDUSSCGKSA-N 1 2 353.375 0.125 20 5 FCBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000267848181 488824417 /nfs/dbraw/zinc/82/44/17/488824417.db2.gz APHJFQAXSSAPQA-UHFFFAOYSA-N 1 2 352.420 0.817 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000172797739 488838453 /nfs/dbraw/zinc/83/84/53/488838453.db2.gz PMXPMPUBLZTYOU-MRXNPFEDSA-N 1 2 369.381 0.852 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000172797739 488838454 /nfs/dbraw/zinc/83/84/54/488838454.db2.gz PMXPMPUBLZTYOU-MRXNPFEDSA-N 1 2 369.381 0.852 20 5 FCBDLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174730882 488850907 /nfs/dbraw/zinc/85/09/07/488850907.db2.gz WPNOXSYMOWMZIC-KRWDZBQOSA-N 1 2 373.413 0.919 20 5 FCBDLO O=C(CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)NC1CCCCC1 ZINC000176229580 488857777 /nfs/dbraw/zinc/85/77/77/488857777.db2.gz SQJJXPGLEGKBGZ-UHFFFAOYSA-N 1 2 364.450 0.858 20 5 FCBDLO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364948570 489021955 /nfs/dbraw/zinc/02/19/55/489021955.db2.gz XXBSEVHQNZKLBV-UHFFFAOYSA-N 1 2 361.362 0.353 20 5 FCBDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280954250 489043656 /nfs/dbraw/zinc/04/36/56/489043656.db2.gz KBOVWBMHGQPVRD-UHFFFAOYSA-N 1 2 374.401 0.890 20 5 FCBDLO O=C(C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1)NC1CC1 ZINC000281036432 489049067 /nfs/dbraw/zinc/04/90/67/489049067.db2.gz UYEWOBWANAQZOM-UHFFFAOYSA-N 1 2 372.385 0.644 20 5 FCBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000281388804 489072111 /nfs/dbraw/zinc/07/21/11/489072111.db2.gz XTSKQQLWRRGJSX-ZDUSSCGKSA-N 1 2 367.402 0.759 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000281404866 489073223 /nfs/dbraw/zinc/07/32/23/489073223.db2.gz FWVVNRYXALJFCA-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000283487666 489264990 /nfs/dbraw/zinc/26/49/90/489264990.db2.gz NUTUQIBYXWIGKS-LBPRGKRZSA-N 1 2 353.375 0.416 20 5 FCBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000555419164 491250378 /nfs/dbraw/zinc/25/03/78/491250378.db2.gz YVMHWNGKUWWFBI-UHFFFAOYSA-N 1 2 351.403 0.960 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000299157234 489411762 /nfs/dbraw/zinc/41/17/62/489411762.db2.gz PLBARSCVDGKVMR-NSHDSACASA-N 1 2 361.358 0.735 20 5 FCBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC(=O)NC1=O ZINC000299498686 489447769 /nfs/dbraw/zinc/44/77/69/489447769.db2.gz FPFIXWYBCBZCEW-ZDUSSCGKSA-N 1 2 357.326 0.658 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485569 489470737 /nfs/dbraw/zinc/47/07/37/489470737.db2.gz AQWSEVCVNVEPNF-MFKMUULPSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485569 489470739 /nfs/dbraw/zinc/47/07/39/489470739.db2.gz AQWSEVCVNVEPNF-MFKMUULPSA-N 1 2 356.404 0.545 20 5 FCBDLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451636395 489513323 /nfs/dbraw/zinc/51/33/23/489513323.db2.gz TZRHNNNGSZTVAC-DTORHVGOSA-N 1 2 352.734 0.391 20 5 FCBDLO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451636395 489513327 /nfs/dbraw/zinc/51/33/27/489513327.db2.gz TZRHNNNGSZTVAC-DTORHVGOSA-N 1 2 352.734 0.391 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000451888493 489528575 /nfs/dbraw/zinc/52/85/75/489528575.db2.gz IKBJSVKRSXUXPA-PHIMTYICSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451888493 489528577 /nfs/dbraw/zinc/52/85/77/489528577.db2.gz IKBJSVKRSXUXPA-PHIMTYICSA-N 1 2 361.395 0.810 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148315 489551643 /nfs/dbraw/zinc/55/16/43/489551643.db2.gz FHJVHNXXDYDPNN-KBPBESRZSA-N 1 2 368.415 0.324 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148315 489551646 /nfs/dbraw/zinc/55/16/46/489551646.db2.gz FHJVHNXXDYDPNN-KBPBESRZSA-N 1 2 368.415 0.324 20 5 FCBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000456886004 489626302 /nfs/dbraw/zinc/62/63/02/489626302.db2.gz 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COc1cccc(C(=O)N(CCO)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000513811800 490749550 /nfs/dbraw/zinc/74/95/50/490749550.db2.gz YDUJGIJLFIIMGF-UHFFFAOYSA-N 1 2 353.375 0.370 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000515024320 490803916 /nfs/dbraw/zinc/80/39/16/490803916.db2.gz LTBAGXXVKHHOBS-UHFFFAOYSA-N 1 2 352.376 0.219 20 5 FCBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000541550794 490865872 /nfs/dbraw/zinc/86/58/72/490865872.db2.gz MOCMADLMANNTLT-UHFFFAOYSA-N 1 2 352.372 0.704 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000557605367 491386759 /nfs/dbraw/zinc/38/67/59/491386759.db2.gz IWVCPXBQEBGXID-JTQLQIEISA-N 1 2 353.404 0.729 20 5 FCBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)S(C)(=O)=O ZINC000560185292 491522679 /nfs/dbraw/zinc/52/26/79/491522679.db2.gz ZWBDICUBVJMWFF-SNVBAGLBSA-N 1 2 352.372 0.943 20 5 FCBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000574940334 491529609 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000619498727 492266772 /nfs/dbraw/zinc/26/67/72/492266772.db2.gz MTTNIYLFMOHLBN-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610898838 492267379 /nfs/dbraw/zinc/26/73/79/492267379.db2.gz HWFCVWRRJLRKSO-GWCFXTLKSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610898838 492267381 /nfs/dbraw/zinc/26/73/81/492267381.db2.gz HWFCVWRRJLRKSO-GWCFXTLKSA-N 1 2 359.404 0.601 20 5 FCBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000442827545 534756886 /nfs/dbraw/zinc/75/68/86/534756886.db2.gz QELFQJLZRRFPAR-HNNXBMFYSA-N 1 2 368.394 0.109 20 5 FCBDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000442824556 534758575 /nfs/dbraw/zinc/75/85/75/534758575.db2.gz JSGQVCXWVPVZLN-MRXNPFEDSA-N 1 2 367.406 0.714 20 5 FCBDLO CN(CCS(C)(=O)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000076213721 674377157 /nfs/dbraw/zinc/37/71/57/674377157.db2.gz QTQPFSMKPWTNHB-UHFFFAOYSA-N 1 2 352.372 0.897 20 5 FCBDLO O=[N+]([O-])c1ccc(OCCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000546621459 546888618 /nfs/dbraw/zinc/88/86/18/546888618.db2.gz JMKPYHMYUAPKQK-UHFFFAOYSA-N 1 2 373.431 0.615 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000546832354 546888892 /nfs/dbraw/zinc/88/88/92/546888892.db2.gz HFSVZWVUGJYEDN-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C1 ZINC000546832354 546888896 /nfs/dbraw/zinc/88/88/96/546888896.db2.gz HFSVZWVUGJYEDN-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592201855 546946317 /nfs/dbraw/zinc/94/63/17/546946317.db2.gz WEPMFZBDUNGRHK-DGCLKSJQSA-N 1 2 351.359 0.698 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000592201855 546946320 /nfs/dbraw/zinc/94/63/20/546946320.db2.gz WEPMFZBDUNGRHK-DGCLKSJQSA-N 1 2 351.359 0.698 20 5 FCBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651606 546987173 /nfs/dbraw/zinc/98/71/73/546987173.db2.gz MMNBXJGPLQLJKO-CQSZACIVSA-N 1 2 355.416 0.218 20 5 FCBDLO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651606 546987175 /nfs/dbraw/zinc/98/71/75/546987175.db2.gz MMNBXJGPLQLJKO-CQSZACIVSA-N 1 2 355.416 0.218 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000549739276 547017417 /nfs/dbraw/zinc/01/74/17/547017417.db2.gz PFJHBIOXOXKIHJ-UHFFFAOYSA-N 1 2 353.360 0.259 20 5 FCBDLO Cn1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000737603100 598340601 /nfs/dbraw/zinc/34/06/01/598340601.db2.gz UKZSOPMVRKXBPN-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO CCOCC[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000821378114 606708058 /nfs/dbraw/zinc/70/80/58/606708058.db2.gz IVUQCVSUFYLZPX-LLVKDONJSA-N 1 2 362.394 0.717 20 5 FCBDLO CCOCC[N@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000821378114 606708060 /nfs/dbraw/zinc/70/80/60/606708060.db2.gz IVUQCVSUFYLZPX-LLVKDONJSA-N 1 2 362.394 0.717 20 5 FCBDLO CC[N@@H+](Cc1cnn(C)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713080 674551329 /nfs/dbraw/zinc/55/13/29/674551329.db2.gz KVHAAVXUTXVCLX-HUUCEWRRSA-N 1 2 350.423 0.541 20 5 FCBDLO CC[N@H+](Cc1cnn(C)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713080 674551331 /nfs/dbraw/zinc/55/13/31/674551331.db2.gz KVHAAVXUTXVCLX-HUUCEWRRSA-N 1 2 350.423 0.541 20 5 FCBDLO CN(C)CC[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821587267 607167096 /nfs/dbraw/zinc/16/70/96/607167096.db2.gz OCISORDJQXMICB-UHFFFAOYSA-N 1 2 361.410 0.608 20 5 FCBDLO CCOc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC000983657162 664980347 /nfs/dbraw/zinc/98/03/47/664980347.db2.gz IQENTTNFKGLQAR-GWOFURMSSA-N 1 2 355.420 0.586 20 5 FCBDLO CC(C)Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000983658453 664980467 /nfs/dbraw/zinc/98/04/67/664980467.db2.gz WJSWLRWRZHREJY-FDYHWXHSSA-N 1 2 351.407 0.918 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000755952372 667654772 /nfs/dbraw/zinc/65/47/72/667654772.db2.gz KBDNEDGMMYALGK-VWLOTQADSA-N 1 2 369.443 0.957 20 5 FCBDLO CCn1nnc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005374662 667738801 /nfs/dbraw/zinc/73/88/01/667738801.db2.gz HHOQHFKEKQADHQ-ZIAGYGMSSA-N 1 2 350.423 0.694 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000742073289 668025759 /nfs/dbraw/zinc/02/57/59/668025759.db2.gz YAAKQUQISVHUFF-UHFFFAOYSA-N 1 2 369.443 0.763 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000839802564 668090151 /nfs/dbraw/zinc/09/01/51/668090151.db2.gz YVKNEZSZRZEISS-UHFFFAOYSA-N 1 2 352.391 0.596 20 5 FCBDLO Cc1c(C(=O)OCCn2cc[nH+]c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000771971278 668284685 /nfs/dbraw/zinc/28/46/85/668284685.db2.gz VBTIUKVGYFHUPZ-UHFFFAOYSA-N 1 2 354.344 0.604 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000779563852 668428964 /nfs/dbraw/zinc/42/89/64/668428964.db2.gz IZFLEJYHUCWANH-LLVKDONJSA-N 1 2 350.335 0.044 20 5 FCBDLO Cc1nn(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793567387 668933298 /nfs/dbraw/zinc/93/32/98/668933298.db2.gz KKJRDOCCGRHNTF-NSHDSACASA-N 1 2 368.419 0.571 20 5 FCBDLO Cc1nn(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793567387 668933302 /nfs/dbraw/zinc/93/33/02/668933302.db2.gz KKJRDOCCGRHNTF-NSHDSACASA-N 1 2 368.419 0.571 20 5 FCBDLO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795924185 669071639 /nfs/dbraw/zinc/07/16/39/669071639.db2.gz HDCZDGSEZVDHLE-LBPRGKRZSA-N 1 2 367.786 0.732 20 5 FCBDLO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795924185 669071645 /nfs/dbraw/zinc/07/16/45/669071645.db2.gz HDCZDGSEZVDHLE-LBPRGKRZSA-N 1 2 367.786 0.732 20 5 FCBDLO COC(=O)/C(C)=C/C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817288767 670006716 /nfs/dbraw/zinc/00/67/16/670006716.db2.gz MKTBSFISUJXNGG-XYOKQWHBSA-N 1 2 371.415 0.924 20 5 FCBDLO COC(=O)/C(C)=C/C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817288767 670006719 /nfs/dbraw/zinc/00/67/19/670006719.db2.gz MKTBSFISUJXNGG-XYOKQWHBSA-N 1 2 371.415 0.924 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166514 670642931 /nfs/dbraw/zinc/64/29/31/670642931.db2.gz PUBLIEQFFYSUEE-KBPBESRZSA-N 1 2 351.359 0.382 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000842166514 670642939 /nfs/dbraw/zinc/64/29/39/670642939.db2.gz PUBLIEQFFYSUEE-KBPBESRZSA-N 1 2 351.359 0.382 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(C[NH+](CCc3cccs3)C2)C1 ZINC001053253326 675992411 /nfs/dbraw/zinc/99/24/11/675992411.db2.gz GCOKUZRVOIBRSY-ZIAGYGMSSA-N 1 2 351.428 0.869 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866424412 672272692 /nfs/dbraw/zinc/27/26/92/672272692.db2.gz HMDLJBWNCMBYGS-ZDUSSCGKSA-N 1 2 355.366 0.428 20 5 FCBDLO CN(CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988512491 1192243117 /nfs/dbraw/zinc/24/31/17/1192243117.db2.gz BIMGAALMTWGCEP-ZIAGYGMSSA-N 1 2 363.418 0.705 20 5 FCBDLO Cc1ncc(C[NH2+]Cc2cc(=O)[nH]c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)o1 ZINC001087256962 1180336230 /nfs/dbraw/zinc/33/62/30/1180336230.db2.gz SLLXRNULCIVLMA-VXGBXAGGSA-N 1 2 362.346 0.050 20 5 FCBDLO O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000973254004 1182140724 /nfs/dbraw/zinc/14/07/24/1182140724.db2.gz FPQXVTYOZPPNLN-RRCSTGOVSA-N 1 2 369.381 0.915 20 5 FCBDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001025776602 1182832662 /nfs/dbraw/zinc/83/26/62/1182832662.db2.gz CILSVFMLSMPBKT-SSZWKKLZSA-N 1 2 362.361 0.476 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001025776602 1182832664 /nfs/dbraw/zinc/83/26/64/1182832664.db2.gz CILSVFMLSMPBKT-SSZWKKLZSA-N 1 2 362.361 0.476 20 5 FCBDLO O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2c[nH+]ccc2[nH]1 ZINC000978993166 1186044236 /nfs/dbraw/zinc/04/42/36/1186044236.db2.gz LFVSSSGUFKOOML-JDTTZNEISA-N 1 2 357.370 0.853 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1cc3n(n1)CCC3)C2 ZINC000981764657 1186513890 /nfs/dbraw/zinc/51/38/90/1186513890.db2.gz XEAHCRZKSUXXGK-HZPDHXFCSA-N 1 2 359.430 0.919 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1cc3n(n1)CCC3)C2 ZINC000981764657 1186513900 /nfs/dbraw/zinc/51/39/00/1186513900.db2.gz XEAHCRZKSUXXGK-HZPDHXFCSA-N 1 2 359.430 0.919 20 5 FCBDLO CCn1cc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)nn1 ZINC000982278996 1186694571 /nfs/dbraw/zinc/69/45/71/1186694571.db2.gz WUEDXPHYAPLKIN-SRABZTEZSA-N 1 2 362.434 0.634 20 5 FCBDLO CCn1cc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)nn1 ZINC000982278996 1186694572 /nfs/dbraw/zinc/69/45/72/1186694572.db2.gz WUEDXPHYAPLKIN-SRABZTEZSA-N 1 2 362.434 0.634 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000760202013 1191063540 /nfs/dbraw/zinc/06/35/40/1191063540.db2.gz AKQDPYFLCQJABE-ZDUSSCGKSA-N 1 2 361.358 0.898 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000760202013 1191063542 /nfs/dbraw/zinc/06/35/42/1191063542.db2.gz AKQDPYFLCQJABE-ZDUSSCGKSA-N 1 2 361.358 0.898 20 5 FCBDLO O=C(NCC[NH2+]Cc1nc(Cc2cccc(F)c2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936945 1194609961 /nfs/dbraw/zinc/60/99/61/1194609961.db2.gz XZKOXSWBDWBKES-CHWSQXEVSA-N 1 2 363.349 0.671 20 5 FCBDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccn2)CC1 ZINC000540623533 1197028300 /nfs/dbraw/zinc/02/83/00/1197028300.db2.gz DVLRUBJOYQZFQZ-UHFFFAOYSA-N 1 2 373.373 0.213 20 5 FCBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccoc3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363409 1198327355 /nfs/dbraw/zinc/32/73/55/1198327355.db2.gz RZCAGDNFRATITD-OJAKKHQRSA-N 1 2 361.358 0.979 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000771185350 1200540895 /nfs/dbraw/zinc/54/08/95/1200540895.db2.gz GCFZIJKDDZTBFT-LLVKDONJSA-N 1 2 365.342 0.767 20 5 FCBDLO CCCCOCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353767 1202889077 /nfs/dbraw/zinc/88/90/77/1202889077.db2.gz BRWPIQKTVMTWIM-HUUCEWRRSA-N 1 2 370.450 0.119 20 5 FCBDLO CCCCOCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001131353767 1202889080 /nfs/dbraw/zinc/88/90/80/1202889080.db2.gz BRWPIQKTVMTWIM-HUUCEWRRSA-N 1 2 370.450 0.119 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000805479335 1202991658 /nfs/dbraw/zinc/99/16/58/1202991658.db2.gz NGNIOTZMWBNAPD-HNNXBMFYSA-N 1 2 363.370 0.748 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000805479335 1202991663 /nfs/dbraw/zinc/99/16/63/1202991663.db2.gz NGNIOTZMWBNAPD-HNNXBMFYSA-N 1 2 363.370 0.748 20 5 FCBDLO Cn1c[nH+]cc1CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000813257111 1202992170 /nfs/dbraw/zinc/99/21/70/1202992170.db2.gz QCWXTHCYKOKTGO-UHFFFAOYSA-N 1 2 363.286 0.938 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CC3=CCCCC3)nn2)C1 ZINC001093319181 1206075389 /nfs/dbraw/zinc/07/53/89/1206075389.db2.gz ZTCRHTNEZBCWNN-HZPDHXFCSA-N 1 2 360.418 0.917 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCCCC1 ZINC001195771176 1208037933 /nfs/dbraw/zinc/03/79/33/1208037933.db2.gz YWZKJCSQNRLJAZ-HZPDHXFCSA-N 1 2 366.462 0.882 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCC1CCCCC1 ZINC001195771176 1208037938 /nfs/dbraw/zinc/03/79/38/1208037938.db2.gz YWZKJCSQNRLJAZ-HZPDHXFCSA-N 1 2 366.462 0.882 20 5 FCBDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273317 1208489197 /nfs/dbraw/zinc/48/91/97/1208489197.db2.gz AETUSGOJSPFUND-CXAGYDPISA-N 1 2 362.430 0.913 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CCn1cccn1)CCO2 ZINC000949365821 1212363867 /nfs/dbraw/zinc/36/38/67/1212363867.db2.gz HVBKZMNOPGDLRI-HUUCEWRRSA-N 1 2 363.418 0.242 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCn1cccn1)CCO2 ZINC000949365821 1212363872 /nfs/dbraw/zinc/36/38/72/1212363872.db2.gz HVBKZMNOPGDLRI-HUUCEWRRSA-N 1 2 363.418 0.242 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)N3CC(N(C)C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC000954239269 1213050489 /nfs/dbraw/zinc/05/04/89/1213050489.db2.gz CCRPDXDADGJJPD-ZIAGYGMSSA-N 1 2 357.370 0.591 20 5 FCBDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010652403 1213805874 /nfs/dbraw/zinc/80/58/74/1213805874.db2.gz KEMWCFPQCLKDIG-TZMCWYRMSA-N 1 2 361.402 0.377 20 5 FCBDLO Cc1c[nH+]cn1CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010657036 1213807031 /nfs/dbraw/zinc/80/70/31/1213807031.db2.gz ODUXOQVFUHAZAC-ZIAGYGMSSA-N 1 2 361.402 0.308 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001017440883 1214095748 /nfs/dbraw/zinc/09/57/48/1214095748.db2.gz QIMCCUASMSKVEC-HUUCEWRRSA-N 1 2 361.402 0.293 20 5 FCBDLO COCc1noc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC000963787205 1214850816 /nfs/dbraw/zinc/85/08/16/1214850816.db2.gz IAJIXDGYTJOAAJ-ZVHXASMASA-N 1 2 365.390 0.398 20 5 FCBDLO Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000963978392 1214881520 /nfs/dbraw/zinc/88/15/20/1214881520.db2.gz CRZOCHASAORNKR-KBUPBQIOSA-N 1 2 363.418 0.648 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000748457672 1218747894 /nfs/dbraw/zinc/74/78/94/1218747894.db2.gz HRZCXLGWDJFCRY-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000748457672 1218747901 /nfs/dbraw/zinc/74/79/01/1218747901.db2.gz HRZCXLGWDJFCRY-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO C[C@H]1NC(=O)N(CCOC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1=O ZINC000838102807 1222670802 /nfs/dbraw/zinc/67/08/02/1222670802.db2.gz YFYFCGXJBRCONY-SNVBAGLBSA-N 1 2 373.325 0.878 20 5 FCBDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000842964964 1222855308 /nfs/dbraw/zinc/85/53/08/1222855308.db2.gz HAMMGUAELVCSAY-TZMCWYRMSA-N 1 2 370.406 0.769 20 5 FCBDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000842964964 1222855311 /nfs/dbraw/zinc/85/53/11/1222855311.db2.gz HAMMGUAELVCSAY-TZMCWYRMSA-N 1 2 370.406 0.769 20 5 FCBDLO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccnn2C)CC1 ZINC001151121677 1222916682 /nfs/dbraw/zinc/91/66/82/1222916682.db2.gz QIBNVWJZRCTUSA-HUUCEWRRSA-N 1 2 365.434 0.573 20 5 FCBDLO C[NH+](C)Cc1nc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)co1 ZINC001157163394 1223069201 /nfs/dbraw/zinc/06/92/01/1223069201.db2.gz AILZXMWAGUKCSP-UHFFFAOYSA-N 1 2 361.358 0.691 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cc(C)on2)CC1 ZINC001162264037 1223211939 /nfs/dbraw/zinc/21/19/39/1223211939.db2.gz FEHGLERHCZSBGR-HUUCEWRRSA-N 1 2 366.418 0.993 20 5 FCBDLO Cc1ncc([N+](=O)[O-])c(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)n1 ZINC001165881768 1223260485 /nfs/dbraw/zinc/26/04/85/1223260485.db2.gz IXXLXTQRGYHATO-UHFFFAOYSA-N 1 2 355.362 0.940 20 5 FCBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+](CCO)CC1 ZINC000917359884 1245555498 /nfs/dbraw/zinc/55/54/98/1245555498.db2.gz XJUQOFOCDRRVKD-UHFFFAOYSA-N 1 2 364.402 0.182 20 5 FCBDLO O=C(Cc1c[nH+]c[nH]1)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944428093 1247556025 /nfs/dbraw/zinc/55/60/25/1247556025.db2.gz HFSPSJYMIPIDLY-ZIAGYGMSSA-N 1 2 361.402 0.459 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000946706551 1247963941 /nfs/dbraw/zinc/96/39/41/1247963941.db2.gz CWCYKEXBKWXISG-TZMCWYRMSA-N 1 2 365.390 0.122 20 5 FCBDLO COc1cncc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)n1 ZINC001035707790 1254057497 /nfs/dbraw/zinc/05/74/97/1254057497.db2.gz QWIGWGUDGWVXRP-ZIAGYGMSSA-N 1 2 361.402 0.575 20 5 FCBDLO CCN(C(=O)CCCn1cc[nH+]c1C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080095495 1255740039 /nfs/dbraw/zinc/74/00/39/1255740039.db2.gz QMMFTBYOIHVJEY-HUUCEWRRSA-N 1 2 363.418 0.696 20 5 FCBDLO CC(=O)NCc1nnc2n1CC[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594120 1259889101 /nfs/dbraw/zinc/88/91/01/1259889101.db2.gz CZUMXRNSIHJDTL-OAHLLOKOSA-N 1 2 356.386 0.805 20 5 FCBDLO CC(=O)NCc1nnc2n1CC[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254594120 1259889106 /nfs/dbraw/zinc/88/91/06/1259889106.db2.gz CZUMXRNSIHJDTL-OAHLLOKOSA-N 1 2 356.386 0.805 20 5 FCBDLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC001312831437 1263288528 /nfs/dbraw/zinc/28/85/28/1263288528.db2.gz MOWPTIZYGGBNHL-UHFFFAOYSA-N 1 2 359.390 0.798 20 5 FCBDLO CN1CC[NH+](Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)CC1 ZINC001320359819 1263788896 /nfs/dbraw/zinc/78/88/96/1263788896.db2.gz MXGDJNFZPZFXDI-UHFFFAOYSA-N 1 2 358.402 0.995 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001322794470 1264267169 /nfs/dbraw/zinc/26/71/69/1264267169.db2.gz DBPLARFVZHQVGA-GFCCVEGCSA-N 1 2 360.374 0.010 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001322794470 1264267177 /nfs/dbraw/zinc/26/71/77/1264267177.db2.gz DBPLARFVZHQVGA-GFCCVEGCSA-N 1 2 360.374 0.010 20 5 FCBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001323353565 1264408380 /nfs/dbraw/zinc/40/83/80/1264408380.db2.gz FHIHYZGWSXKHHC-CYBMUJFWSA-N 1 2 357.370 0.581 20 5 FCBDLO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001325292714 1264836546 /nfs/dbraw/zinc/83/65/46/1264836546.db2.gz ASTHDUIMCYDAFH-ZDUSSCGKSA-N 1 2 357.370 0.581 20 5 FCBDLO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001326306133 1265095763 /nfs/dbraw/zinc/09/57/63/1265095763.db2.gz NJUUIPLMHWTSMN-UHFFFAOYSA-N 1 2 371.401 0.892 20 5 FCBDLO C[C@@H](Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001603678914 1287467338 /nfs/dbraw/zinc/46/73/38/1287467338.db2.gz OUCZCMYRSLCUDS-PSASIEDQSA-N 1 2 352.424 0.883 20 5 FCBDLO C[C@@H](Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001603678914 1287467352 /nfs/dbraw/zinc/46/73/52/1287467352.db2.gz OUCZCMYRSLCUDS-PSASIEDQSA-N 1 2 352.424 0.883 20 5 FCBDLO C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606028373 1288138025 /nfs/dbraw/zinc/13/80/25/1288138025.db2.gz GNALCPKPHFVBNX-UHFFFAOYSA-N 1 2 352.391 0.906 20 5 FCBDLO C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606028373 1288138031 /nfs/dbraw/zinc/13/80/31/1288138031.db2.gz GNALCPKPHFVBNX-UHFFFAOYSA-N 1 2 352.391 0.906 20 5 FCBDLO O=C1OCC[C@H]2C[N@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CCN12 ZINC001607054956 1288625248 /nfs/dbraw/zinc/62/52/48/1288625248.db2.gz UHMBNCVPDKGSOC-JTQLQIEISA-N 1 2 359.346 0.801 20 5 FCBDLO O=C1OCC[C@H]2C[N@@H+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CCN12 ZINC001607054956 1288625251 /nfs/dbraw/zinc/62/52/51/1288625251.db2.gz UHMBNCVPDKGSOC-JTQLQIEISA-N 1 2 359.346 0.801 20 5 FCBDLO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001607086434 1288654358 /nfs/dbraw/zinc/65/43/58/1288654358.db2.gz XNQXFSALVOXCJX-GXSJLCMTSA-N 1 2 365.419 0.872 20 5 FCBDLO O=C(NC1(CO)CC[NH+](Cc2cncc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755177393 1290641786 /nfs/dbraw/zinc/64/17/86/1290641786.db2.gz OKLCELVRYWQCED-ZIAGYGMSSA-N 1 2 352.366 0.329 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000749973334 836397480 /nfs/dbraw/zinc/39/74/80/836397480.db2.gz YRSKPUNLCQNYGS-ZDUSSCGKSA-N 1 2 353.404 0.916 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000749973334 836397487 /nfs/dbraw/zinc/39/74/87/836397487.db2.gz YRSKPUNLCQNYGS-ZDUSSCGKSA-N 1 2 353.404 0.916 20 5 FCBDLO Cc1cc(OCC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC001116887491 846795986 /nfs/dbraw/zinc/79/59/86/846795986.db2.gz GNVDZMGQKYZHGF-GFCCVEGCSA-N 1 2 350.375 0.348 20 5 FCBDLO Cc1cc(OCC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC001116887491 846795991 /nfs/dbraw/zinc/79/59/91/846795991.db2.gz GNVDZMGQKYZHGF-GFCCVEGCSA-N 1 2 350.375 0.348 20 5 FCBDLO Cc1cc(OCC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC001116887493 846796140 /nfs/dbraw/zinc/79/61/40/846796140.db2.gz GNVDZMGQKYZHGF-LBPRGKRZSA-N 1 2 350.375 0.348 20 5 FCBDLO Cc1cc(OCC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC001116887493 846796144 /nfs/dbraw/zinc/79/61/44/846796144.db2.gz GNVDZMGQKYZHGF-LBPRGKRZSA-N 1 2 350.375 0.348 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccon2)CC1 ZINC001162264441 850303450 /nfs/dbraw/zinc/30/34/50/850303450.db2.gz MLYABOJAIPJTKU-ZIAGYGMSSA-N 1 2 352.391 0.685 20 5 FCBDLO CS(=O)(=O)NCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001254211356 857948777 /nfs/dbraw/zinc/94/87/77/857948777.db2.gz RZVVMWMGRMGQHH-UHFFFAOYSA-N 1 2 368.371 0.877 20 5 FCBDLO CN1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001307872610 866680957 /nfs/dbraw/zinc/68/09/57/866680957.db2.gz TWVKTSJDRLMURH-GFCCVEGCSA-N 1 2 356.404 0.036 20 5 FCBDLO CN1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001307872610 866680967 /nfs/dbraw/zinc/68/09/67/866680967.db2.gz TWVKTSJDRLMURH-GFCCVEGCSA-N 1 2 356.404 0.036 20 5 FCBDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC001309798827 866900455 /nfs/dbraw/zinc/90/04/55/866900455.db2.gz DCOFGMJTACLDNL-NSHDSACASA-N 1 2 357.388 0.754 20 5 FCBDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC001309798827 866900467 /nfs/dbraw/zinc/90/04/67/866900467.db2.gz DCOFGMJTACLDNL-NSHDSACASA-N 1 2 357.388 0.754 20 5 FCBDLO CN1CC[NH+](C(C)(C)CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001344096557 870742273 /nfs/dbraw/zinc/74/22/73/870742273.db2.gz TVVIVRNJEWRVMO-OAHLLOKOSA-N 1 2 350.419 0.770 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001332415088 873498036 /nfs/dbraw/zinc/49/80/36/873498036.db2.gz GGESYRRYCMOGRP-CQSZACIVSA-N 1 2 350.375 0.395 20 5 FCBDLO CNS(=O)(=O)c1ccc(SCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000292709305 214118472 /nfs/dbraw/zinc/11/84/72/214118472.db2.gz RIAHPAPLJYJHNN-UHFFFAOYSA-N 1 2 361.445 0.927 20 5 FCBDLO NS(=O)(=O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293102439 214146442 /nfs/dbraw/zinc/14/64/42/214146442.db2.gz LDNMBSODWMRZOZ-UHFFFAOYSA-N 1 2 356.404 0.031 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3C[C@@H](O)C3)c([N+](=O)[O-])c2)CC1 ZINC000295331286 214291066 /nfs/dbraw/zinc/29/10/66/214291066.db2.gz MLQMRGWJTPRFNS-TXEJJXNPSA-N 1 2 370.431 0.466 20 5 FCBDLO CNC(=O)C[NH+]1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296247699 214338871 /nfs/dbraw/zinc/33/88/71/214338871.db2.gz FMNDZOCRRJSXNP-UHFFFAOYSA-N 1 2 350.375 0.178 20 5 FCBDLO COC(=O)Cc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000297330548 214393593 /nfs/dbraw/zinc/39/35/93/214393593.db2.gz AHJRWJITPWEQGD-AWEZNQCLSA-N 1 2 367.402 0.440 20 5 FCBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000265439877 210135256 /nfs/dbraw/zinc/13/52/56/210135256.db2.gz ILNZHQVNSZTRPF-CQSZACIVSA-N 1 2 362.386 0.258 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC000331579453 215018193 /nfs/dbraw/zinc/01/81/93/215018193.db2.gz MNINNECSAVUDIC-SNVBAGLBSA-N 1 2 354.392 0.723 20 5 FCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000331692061 215035449 /nfs/dbraw/zinc/03/54/49/215035449.db2.gz XIOMFTHAZJSYTE-UHFFFAOYSA-N 1 2 365.434 0.950 20 5 FCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000331692061 215035452 /nfs/dbraw/zinc/03/54/52/215035452.db2.gz XIOMFTHAZJSYTE-UHFFFAOYSA-N 1 2 365.434 0.950 20 5 FCBDLO C[C@H](O)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000265152214 210066049 /nfs/dbraw/zinc/06/60/49/210066049.db2.gz SYYXUCFJBQIMOF-LBPRGKRZSA-N 1 2 372.447 0.714 20 5 FCBDLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000332351945 215134592 /nfs/dbraw/zinc/13/45/92/215134592.db2.gz YRKSGWLJBKYCSG-UHFFFAOYSA-N 1 2 362.386 0.681 20 5 FCBDLO Cn1c2[nH]c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])nc2c(=O)n(C)c1=O ZINC000285312548 213322386 /nfs/dbraw/zinc/32/23/86/213322386.db2.gz MFKBSMVUCGSDHB-UHFFFAOYSA-N 1 2 372.385 0.543 20 5 FCBDLO Cn1c2[nH]c(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])nc2c(=O)n(C)c1=O ZINC000285312548 213322388 /nfs/dbraw/zinc/32/23/88/213322388.db2.gz MFKBSMVUCGSDHB-UHFFFAOYSA-N 1 2 372.385 0.543 20 5 FCBDLO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284682024 213196049 /nfs/dbraw/zinc/19/60/49/213196049.db2.gz OEYOPLVCIYLAFW-HOTGVXAUSA-N 1 2 369.443 0.872 20 5 FCBDLO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000284682024 213196052 /nfs/dbraw/zinc/19/60/52/213196052.db2.gz OEYOPLVCIYLAFW-HOTGVXAUSA-N 1 2 369.443 0.872 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246080707 209378471 /nfs/dbraw/zinc/37/84/71/209378471.db2.gz GSYPHXWFBKDJOY-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246080707 209378477 /nfs/dbraw/zinc/37/84/77/209378477.db2.gz GSYPHXWFBKDJOY-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189543523 209254209 /nfs/dbraw/zinc/25/42/09/209254209.db2.gz FOKBHHHKFXHBQT-UONOGXRCSA-N 1 2 371.459 0.755 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189543523 209254213 /nfs/dbraw/zinc/25/42/13/209254213.db2.gz FOKBHHHKFXHBQT-UONOGXRCSA-N 1 2 371.459 0.755 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189086618 209244665 /nfs/dbraw/zinc/24/46/65/209244665.db2.gz SXMLXILFEDQIOX-ZIAGYGMSSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189086618 209244667 /nfs/dbraw/zinc/24/46/67/209244667.db2.gz SXMLXILFEDQIOX-ZIAGYGMSSA-N 1 2 371.459 0.854 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189078874 209244965 /nfs/dbraw/zinc/24/49/65/209244965.db2.gz LTLKBFHAWBDXCO-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000189078874 209244969 /nfs/dbraw/zinc/24/49/69/209244969.db2.gz LTLKBFHAWBDXCO-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000187963816 209221120 /nfs/dbraw/zinc/22/11/20/209221120.db2.gz JAMCASJBMYJIPT-JTQLQIEISA-N 1 2 363.823 0.935 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000275828042 212098323 /nfs/dbraw/zinc/09/83/23/212098323.db2.gz XWGOYHRMOYRWQE-ZDUSSCGKSA-N 1 2 368.390 0.760 20 5 FCBDLO Cc1c(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000275795726 212092186 /nfs/dbraw/zinc/09/21/86/212092186.db2.gz LRLZMVMAMWWQJX-UHFFFAOYSA-N 1 2 350.375 0.632 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000275772687 212087283 /nfs/dbraw/zinc/08/72/83/212087283.db2.gz IBPVMKKPDKRHDQ-UHFFFAOYSA-N 1 2 370.793 0.977 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275664102 212069359 /nfs/dbraw/zinc/06/93/59/212069359.db2.gz NIUCRWUYSAZFFX-LLVKDONJSA-N 1 2 359.404 0.291 20 5 FCBDLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275565459 212051853 /nfs/dbraw/zinc/05/18/53/212051853.db2.gz DHYIVRUOHAMWJK-LLVKDONJSA-N 1 2 366.374 0.067 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275461136 212031211 /nfs/dbraw/zinc/03/12/11/212031211.db2.gz BTQLIEMGFVYUQA-CFVMTHIKSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275461136 212031222 /nfs/dbraw/zinc/03/12/22/212031222.db2.gz BTQLIEMGFVYUQA-CFVMTHIKSA-N 1 2 354.359 0.333 20 5 FCBDLO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000184523330 209163196 /nfs/dbraw/zinc/16/31/96/209163196.db2.gz DRSANUCDEPNDJN-CYBMUJFWSA-N 1 2 357.432 0.983 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275310524 212006254 /nfs/dbraw/zinc/00/62/54/212006254.db2.gz BXCYZMBMOJERAN-RYUDHWBXSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000275310524 212006256 /nfs/dbraw/zinc/00/62/56/212006256.db2.gz BXCYZMBMOJERAN-RYUDHWBXSA-N 1 2 357.432 0.890 20 5 FCBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373893061 217072522 /nfs/dbraw/zinc/07/25/22/217072522.db2.gz NVWIQYIJRLKGBO-OAHLLOKOSA-N 1 2 368.415 0.633 20 5 FCBDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000182403638 209131104 /nfs/dbraw/zinc/13/11/04/209131104.db2.gz BJWXACFREBKDJQ-AWEZNQCLSA-N 1 2 357.432 0.980 20 5 FCBDLO CCn1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000435798664 248019368 /nfs/dbraw/zinc/01/93/68/248019368.db2.gz JMYWACPQRVPBBO-JTQLQIEISA-N 1 2 357.392 0.985 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000441259620 248245356 /nfs/dbraw/zinc/24/53/56/248245356.db2.gz RXGQYFDPXMQXFQ-SNVBAGLBSA-N 1 2 353.404 0.972 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000441259620 248245359 /nfs/dbraw/zinc/24/53/59/248245359.db2.gz RXGQYFDPXMQXFQ-SNVBAGLBSA-N 1 2 353.404 0.972 20 5 FCBDLO Cc1cc(S(=O)(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000443253846 248317098 /nfs/dbraw/zinc/31/70/98/248317098.db2.gz ROQOZSMAFMDCIV-HNNXBMFYSA-N 1 2 373.431 0.265 20 5 FCBDLO CCS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448684038 248454083 /nfs/dbraw/zinc/45/40/83/248454083.db2.gz GDXNTZXLQVWVHY-UHFFFAOYSA-N 1 2 367.387 0.450 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000271321303 211379143 /nfs/dbraw/zinc/37/91/43/211379143.db2.gz JVZPVJBKWIAVMY-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000271321303 211379145 /nfs/dbraw/zinc/37/91/45/211379145.db2.gz JVZPVJBKWIAVMY-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO O=C1NC[C@H]2CN(c3cc(C[NH+]4CCOCC4)ccc3[N+](=O)[O-])CCN12 ZINC000472369946 250147546 /nfs/dbraw/zinc/14/75/46/250147546.db2.gz SSQNDBIHMBDQRE-AWEZNQCLSA-N 1 2 361.402 0.641 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472551331 250160241 /nfs/dbraw/zinc/16/02/41/250160241.db2.gz NMMUZVIFGMDVHS-JTQLQIEISA-N 1 2 354.338 0.509 20 5 FCBDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000472907940 250188593 /nfs/dbraw/zinc/18/85/93/250188593.db2.gz SRNKPUXZMIEFMP-CJNGLKHVSA-N 1 2 363.370 0.450 20 5 FCBDLO C[N@H+]1CCO[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21 ZINC000472907940 250188598 /nfs/dbraw/zinc/18/85/98/250188598.db2.gz SRNKPUXZMIEFMP-CJNGLKHVSA-N 1 2 363.370 0.450 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000269784264 211078701 /nfs/dbraw/zinc/07/87/01/211078701.db2.gz IQYDRGBUDFKXSJ-CYBMUJFWSA-N 1 2 373.431 0.217 20 5 FCBDLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075766904 208061713 /nfs/dbraw/zinc/06/17/13/208061713.db2.gz NERKESZYFCGXMH-PBHICJAKSA-N 1 2 360.418 0.926 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000412435049 533099100 /nfs/dbraw/zinc/09/91/00/533099100.db2.gz KLSZWZZXGMVCFI-UHFFFAOYSA-N 1 2 369.422 0.861 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000412435049 533099104 /nfs/dbraw/zinc/09/91/04/533099104.db2.gz KLSZWZZXGMVCFI-UHFFFAOYSA-N 1 2 369.422 0.861 20 5 FCBDLO O=C1NC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN2C1=O ZINC000180488512 209096191 /nfs/dbraw/zinc/09/61/91/209096191.db2.gz FGQYQMKKAJNXDG-LBPRGKRZSA-N 1 2 370.365 0.997 20 5 FCBDLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN2C1=O ZINC000180488512 209096194 /nfs/dbraw/zinc/09/61/94/209096194.db2.gz FGQYQMKKAJNXDG-LBPRGKRZSA-N 1 2 370.365 0.997 20 5 FCBDLO CCOC1CC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)([NH+]2CCOCC2)C1 ZINC000278294394 488865846 /nfs/dbraw/zinc/86/58/46/488865846.db2.gz GHCPWIYZGXJNFP-UHFFFAOYSA-N 1 2 367.406 0.177 20 5 FCBDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000363652243 488868655 /nfs/dbraw/zinc/86/86/55/488868655.db2.gz RFQKXMOYLRAXIE-UHFFFAOYSA-N 1 2 352.347 0.406 20 5 FCBDLO CCOC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000363652243 488868657 /nfs/dbraw/zinc/86/86/57/488868657.db2.gz RFQKXMOYLRAXIE-UHFFFAOYSA-N 1 2 352.347 0.406 20 5 FCBDLO Cn1ccnc1C(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000301093286 488875903 /nfs/dbraw/zinc/87/59/03/488875903.db2.gz LNQKNSRPVUANTI-UHFFFAOYSA-N 1 2 359.386 0.674 20 5 FCBDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000301801059 488884246 /nfs/dbraw/zinc/88/42/46/488884246.db2.gz SHJFQAHZYMWHEV-AWEZNQCLSA-N 1 2 363.418 0.668 20 5 FCBDLO CNS(=O)(=O)c1ccc(N(C)[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000278607232 488884311 /nfs/dbraw/zinc/88/43/11/488884311.db2.gz FROXADXLQSVRLE-GFCCVEGCSA-N 1 2 372.447 0.660 20 5 FCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000278615902 488885006 /nfs/dbraw/zinc/88/50/06/488885006.db2.gz GCTAASDZYOAXQO-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000278615902 488885007 /nfs/dbraw/zinc/88/50/07/488885007.db2.gz GCTAASDZYOAXQO-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO COc1ccc(NC(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000363827591 488889904 /nfs/dbraw/zinc/88/99/04/488889904.db2.gz XCTAKKGDYNDCIM-UHFFFAOYSA-N 1 2 373.369 0.694 20 5 FCBDLO COc1ccc(NC(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c([N+](=O)[O-])c1 ZINC000363827591 488889907 /nfs/dbraw/zinc/88/99/07/488889907.db2.gz XCTAKKGDYNDCIM-UHFFFAOYSA-N 1 2 373.369 0.694 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000327136850 488918615 /nfs/dbraw/zinc/91/86/15/488918615.db2.gz UKJGUPLGCDFRDZ-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO CC(C)(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000015171412 487576903 /nfs/dbraw/zinc/57/69/03/487576903.db2.gz OCMASMQFMPJQCJ-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CCNC(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000029668868 487728924 /nfs/dbraw/zinc/72/89/24/487728924.db2.gz SOHMDFVGZAPOOD-UHFFFAOYSA-N 1 2 364.402 0.715 20 5 FCBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543139 487778288 /nfs/dbraw/zinc/77/82/88/487778288.db2.gz YFLAULBPFUIFCG-CYBMUJFWSA-N 1 2 363.418 0.628 20 5 FCBDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000041625376 487835156 /nfs/dbraw/zinc/83/51/56/487835156.db2.gz RTZKMGBSAAFXGP-LBPRGKRZSA-N 1 2 370.431 0.795 20 5 FCBDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000041625376 487835157 /nfs/dbraw/zinc/83/51/57/487835157.db2.gz RTZKMGBSAAFXGP-LBPRGKRZSA-N 1 2 370.431 0.795 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000047931686 488049290 /nfs/dbraw/zinc/04/92/90/488049290.db2.gz SGNAYNZUPDVYKZ-NSHDSACASA-N 1 2 359.342 0.722 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000048245012 488064532 /nfs/dbraw/zinc/06/45/32/488064532.db2.gz KSVBLPAUIJTUHE-UHFFFAOYSA-N 1 2 359.386 0.940 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000052845362 488184352 /nfs/dbraw/zinc/18/43/52/488184352.db2.gz JXARLPNNDUMWRS-CQSZACIVSA-N 1 2 355.420 0.115 20 5 FCBDLO CCOc1ccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000060508535 488290936 /nfs/dbraw/zinc/29/09/36/488290936.db2.gz QXPPXDIBRYDMAA-UHFFFAOYSA-N 1 2 364.402 0.887 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068945257 488370065 /nfs/dbraw/zinc/37/00/65/488370065.db2.gz JDYOWKNDWXLRKB-UHFFFAOYSA-N 1 2 370.431 0.426 20 5 FCBDLO COc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184233082 488395811 /nfs/dbraw/zinc/39/58/11/488395811.db2.gz KCKXJCWNTMXDLT-ZDUSSCGKSA-N 1 2 357.382 0.867 20 5 FCBDLO COc1cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184233082 488395814 /nfs/dbraw/zinc/39/58/14/488395814.db2.gz KCKXJCWNTMXDLT-ZDUSSCGKSA-N 1 2 357.382 0.867 20 5 FCBDLO COc1cc(CN(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184233082 488395816 /nfs/dbraw/zinc/39/58/16/488395816.db2.gz KCKXJCWNTMXDLT-ZDUSSCGKSA-N 1 2 357.382 0.867 20 5 FCBDLO COc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268235223 488399527 /nfs/dbraw/zinc/39/95/27/488399527.db2.gz GKYIKOGCVMTDNG-GFCCVEGCSA-N 1 2 373.431 0.850 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000268908390 488456563 /nfs/dbraw/zinc/45/65/63/488456563.db2.gz YFSXJCSJYACGDL-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C ZINC000268908390 488456565 /nfs/dbraw/zinc/45/65/65/488456565.db2.gz YFSXJCSJYACGDL-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO CC(C)c1n[nH]c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269462237 488505872 /nfs/dbraw/zinc/50/58/72/488505872.db2.gz HTBTXNXKZYGOIG-LLVKDONJSA-N 1 2 355.395 0.206 20 5 FCBDLO CC(C)c1[nH]nc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269462237 488505873 /nfs/dbraw/zinc/50/58/73/488505873.db2.gz HTBTXNXKZYGOIG-LLVKDONJSA-N 1 2 355.395 0.206 20 5 FCBDLO CCN(CC)C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270605393 488517117 /nfs/dbraw/zinc/51/71/17/488517117.db2.gz XXKAORYNTQIQJU-UHFFFAOYSA-N 1 2 351.407 0.836 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262285708 488561735 /nfs/dbraw/zinc/56/17/35/488561735.db2.gz XVCQYRHWWCNMIX-ZDUSSCGKSA-N 1 2 362.386 0.584 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122386342 488578342 /nfs/dbraw/zinc/57/83/42/488578342.db2.gz BETYERHTJURRFR-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122386342 488578344 /nfs/dbraw/zinc/57/83/44/488578344.db2.gz BETYERHTJURRFR-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO COC(C[N@H+](CCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)OC ZINC000272730058 488600879 /nfs/dbraw/zinc/60/08/79/488600879.db2.gz CDJLHJQZXUNBCN-UHFFFAOYSA-N 1 2 355.391 0.861 20 5 FCBDLO COC(C[N@@H+](CCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)OC ZINC000272730058 488600880 /nfs/dbraw/zinc/60/08/80/488600880.db2.gz CDJLHJQZXUNBCN-UHFFFAOYSA-N 1 2 355.391 0.861 20 5 FCBDLO COc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000273009480 488625202 /nfs/dbraw/zinc/62/52/02/488625202.db2.gz YTLQECHQGDCLPX-LLVKDONJSA-N 1 2 366.374 0.379 20 5 FCBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273217133 488638427 /nfs/dbraw/zinc/63/84/27/488638427.db2.gz MHYBOMDOHZPXBT-AWEZNQCLSA-N 1 2 364.402 0.973 20 5 FCBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273217133 488638429 /nfs/dbraw/zinc/63/84/29/488638429.db2.gz MHYBOMDOHZPXBT-AWEZNQCLSA-N 1 2 364.402 0.973 20 5 FCBDLO NC(=O)C1CCN(c2[nH+]cccc2CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000264158374 488651170 /nfs/dbraw/zinc/65/11/70/488651170.db2.gz UBFWTIWTHHSRCR-UHFFFAOYSA-N 1 2 372.389 0.676 20 5 FCBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[C@H](C)[NH+]1CCOCC1 ZINC000264346812 488665921 /nfs/dbraw/zinc/66/59/21/488665921.db2.gz 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FCBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000264782057 488710921 /nfs/dbraw/zinc/71/09/21/488710921.db2.gz YIPRLCHBTRIBQU-CQSZACIVSA-N 1 2 351.407 0.648 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000264782057 488710923 /nfs/dbraw/zinc/71/09/23/488710923.db2.gz YIPRLCHBTRIBQU-CQSZACIVSA-N 1 2 351.407 0.648 20 5 FCBDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264784653 488711546 /nfs/dbraw/zinc/71/15/46/488711546.db2.gz VTHKQZWYQOUUHK-LLVKDONJSA-N 1 2 362.839 0.772 20 5 FCBDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000264784653 488711548 /nfs/dbraw/zinc/71/15/48/488711548.db2.gz VTHKQZWYQOUUHK-LLVKDONJSA-N 1 2 362.839 0.772 20 5 FCBDLO O=C(CO)N1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000152418265 488717764 /nfs/dbraw/zinc/71/77/64/488717764.db2.gz ARDXUYUAQSSZGQ-UHFFFAOYSA-N 1 2 364.358 0.029 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000266860737 488737729 /nfs/dbraw/zinc/73/77/29/488737729.db2.gz JTIFZJAZSSULOI-UHFFFAOYSA-N 1 2 351.363 0.675 20 5 FCBDLO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266868788 488738675 /nfs/dbraw/zinc/73/86/75/488738675.db2.gz OQOBZJXZONSCBI-CQSZACIVSA-N 1 2 366.418 0.216 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266868788 488738676 /nfs/dbraw/zinc/73/86/76/488738676.db2.gz OQOBZJXZONSCBI-CQSZACIVSA-N 1 2 366.418 0.216 20 5 FCBDLO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@H+](C)CCO1 ZINC000157297449 488770538 /nfs/dbraw/zinc/77/05/38/488770538.db2.gz TZUZLTWWRNPIES-XHDPSFHLSA-N 1 2 360.374 0.624 20 5 FCBDLO C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1C[N@@H+](C)CCO1 ZINC000157297449 488770540 /nfs/dbraw/zinc/77/05/40/488770540.db2.gz TZUZLTWWRNPIES-XHDPSFHLSA-N 1 2 360.374 0.624 20 5 FCBDLO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159659762 488786738 /nfs/dbraw/zinc/78/67/38/488786738.db2.gz 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C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000163760054 488809112 /nfs/dbraw/zinc/80/91/12/488809112.db2.gz WJNPWYWBQAAHPF-UONOGXRCSA-N 1 2 371.459 0.854 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267664384 488810661 /nfs/dbraw/zinc/81/06/61/488810661.db2.gz KRBPWXSCXSQCTQ-LBPRGKRZSA-N 1 2 363.374 0.236 20 5 FCBDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000267708727 488814093 /nfs/dbraw/zinc/81/40/93/488814093.db2.gz WAANJSALFCVTNK-UKRRQHHQSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000267708727 488814094 /nfs/dbraw/zinc/81/40/94/488814094.db2.gz WAANJSALFCVTNK-UKRRQHHQSA-N 1 2 354.359 0.598 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000172798484 488838392 /nfs/dbraw/zinc/83/83/92/488838392.db2.gz OOIHYUPUHRKEKZ-UHFFFAOYSA-N 1 2 369.381 0.636 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000172798484 488838394 /nfs/dbraw/zinc/83/83/94/488838394.db2.gz OOIHYUPUHRKEKZ-UHFFFAOYSA-N 1 2 369.381 0.636 20 5 FCBDLO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](C)CC1 ZINC000174605152 488850141 /nfs/dbraw/zinc/85/01/41/488850141.db2.gz KZBQLCMJTVAPEM-CQSZACIVSA-N 1 2 351.407 0.697 20 5 FCBDLO O=C(CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)NCc1ccccc1 ZINC000176201756 488857659 /nfs/dbraw/zinc/85/76/59/488857659.db2.gz DSTLWANVFGLNIA-UHFFFAOYSA-N 1 2 372.429 0.725 20 5 FCBDLO O=C(NCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000180905174 488862584 /nfs/dbraw/zinc/86/25/84/488862584.db2.gz VVWQYCVXIQPJFR-UHFFFAOYSA-N 1 2 369.341 0.663 20 5 FCBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccncc1[N+](=O)[O-] ZINC000364686601 488986103 /nfs/dbraw/zinc/98/61/03/488986103.db2.gz PTVHYWLXRAXBOK-HNNXBMFYSA-N 1 2 367.431 0.741 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)n1 ZINC000281027195 489048385 /nfs/dbraw/zinc/04/83/85/489048385.db2.gz SYJWZIVPLKZLEK-UHFFFAOYSA-N 1 2 372.341 0.851 20 5 FCBDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000330683245 489132505 /nfs/dbraw/zinc/13/25/05/489132505.db2.gz QXPNZFMRIJQQLY-LBPRGKRZSA-N 1 2 370.431 0.889 20 5 FCBDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1S(C)(=O)=O ZINC000330683245 489132508 /nfs/dbraw/zinc/13/25/08/489132508.db2.gz QXPNZFMRIJQQLY-LBPRGKRZSA-N 1 2 370.431 0.889 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295306168 489191625 /nfs/dbraw/zinc/19/16/25/489191625.db2.gz KKEGALAREIPLNY-LLVKDONJSA-N 1 2 354.382 0.939 20 5 FCBDLO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295400117 489192681 /nfs/dbraw/zinc/19/26/81/489192681.db2.gz SKJCHGKHFWOBGQ-UHFFFAOYSA-N 1 2 363.823 0.983 20 5 FCBDLO COC(=O)Cc1ccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000297440649 489201065 /nfs/dbraw/zinc/20/10/65/489201065.db2.gz IQNYTOBGVNXWJN-UHFFFAOYSA-N 1 2 364.402 0.696 20 5 FCBDLO C[C@@H](CO)N1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966766 489223307 /nfs/dbraw/zinc/22/33/07/489223307.db2.gz RCNFDQUYGOGEKS-GJZGRUSLSA-N 1 2 353.419 0.723 20 5 FCBDLO C[C@@H](CO)N1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000368966766 489223311 /nfs/dbraw/zinc/22/33/11/489223311.db2.gz RCNFDQUYGOGEKS-GJZGRUSLSA-N 1 2 353.419 0.723 20 5 FCBDLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000297967714 489270455 /nfs/dbraw/zinc/27/04/55/489270455.db2.gz VWVDPVJBICIISZ-UHFFFAOYSA-N 1 2 361.402 0.017 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000285884792 489330398 /nfs/dbraw/zinc/33/03/98/489330398.db2.gz QYKRYVSFELKUQE-TZMCWYRMSA-N 1 2 350.375 0.078 20 5 FCBDLO O=C(Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1)NCC[NH+]1CCOCC1 ZINC000350679252 489344289 /nfs/dbraw/zinc/34/42/89/489344289.db2.gz PSSFFOWKKCMFTN-UHFFFAOYSA-N 1 2 361.358 0.636 20 5 FCBDLO 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O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000299532203 489452587 /nfs/dbraw/zinc/45/25/87/489452587.db2.gz RUGPTHDOMJAABV-UHFFFAOYSA-N 1 2 357.370 0.496 20 5 FCBDLO NS(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000371107080 489452775 /nfs/dbraw/zinc/45/27/75/489452775.db2.gz MTSPJTIRZKXHDS-LLVKDONJSA-N 1 2 356.404 0.153 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000371154182 489457782 /nfs/dbraw/zinc/45/77/82/489457782.db2.gz IPGZIDBIOJYZSN-UHFFFAOYSA-N 1 2 359.386 0.638 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000371154182 489457784 /nfs/dbraw/zinc/45/77/84/489457784.db2.gz IPGZIDBIOJYZSN-UHFFFAOYSA-N 1 2 359.386 0.638 20 5 FCBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000287120457 489462492 /nfs/dbraw/zinc/46/24/92/489462492.db2.gz QKGBERGVIWGNDB-QWHCGFSZSA-N 1 2 352.395 0.296 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486948 489470835 /nfs/dbraw/zinc/47/08/35/489470835.db2.gz GAKHWUGSPDLNRN-GXFFZTMASA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486948 489470838 /nfs/dbraw/zinc/47/08/38/489470838.db2.gz GAKHWUGSPDLNRN-GXFFZTMASA-N 1 2 356.404 0.545 20 5 FCBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451895811 489529438 /nfs/dbraw/zinc/52/94/38/489529438.db2.gz YQMMHEMXLYTFGN-TXEJJXNPSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451895811 489529440 /nfs/dbraw/zinc/52/94/40/489529440.db2.gz YQMMHEMXLYTFGN-TXEJJXNPSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427035708 489592086 /nfs/dbraw/zinc/59/20/86/489592086.db2.gz ONVRCWUCIURTBP-JTQLQIEISA-N 1 2 359.342 0.870 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000457245108 489641940 /nfs/dbraw/zinc/64/19/40/489641940.db2.gz WZTXSAXKKLICAK-FZMZJTMJSA-N 1 2 360.326 0.529 20 5 FCBDLO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428352542 489645461 /nfs/dbraw/zinc/64/54/61/489645461.db2.gz QQBTTZDKBOOEAC-CYBMUJFWSA-N 1 2 372.385 0.722 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000428365490 489646165 /nfs/dbraw/zinc/64/61/65/489646165.db2.gz CFBWMWKFJNXOTE-NSHDSACASA-N 1 2 364.383 0.940 20 5 FCBDLO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000489035954 489691977 /nfs/dbraw/zinc/69/19/77/489691977.db2.gz LTMBEJJXFQYGRU-CQSZACIVSA-N 1 2 367.358 0.806 20 5 FCBDLO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000489035954 489691979 /nfs/dbraw/zinc/69/19/79/489691979.db2.gz LTMBEJJXFQYGRU-CQSZACIVSA-N 1 2 367.358 0.806 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472689874 489735227 /nfs/dbraw/zinc/73/52/27/489735227.db2.gz 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Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000491832301 489812451 /nfs/dbraw/zinc/81/24/51/489812451.db2.gz PLDYYUCGJBGLIS-LBPRGKRZSA-N 1 2 357.432 0.899 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000476419240 489886721 /nfs/dbraw/zinc/88/67/21/489886721.db2.gz QUADQUBZAGJZIQ-UHFFFAOYSA-N 1 2 364.406 0.099 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000476419240 489886724 /nfs/dbraw/zinc/88/67/24/489886724.db2.gz QUADQUBZAGJZIQ-UHFFFAOYSA-N 1 2 364.406 0.099 20 5 FCBDLO Nc1[nH+]cnc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000434079252 489911802 /nfs/dbraw/zinc/91/18/02/489911802.db2.gz PAEIMTXFQIAGGJ-UHFFFAOYSA-N 1 2 372.794 1.011 20 5 FCBDLO Nc1nc[nH+]c(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000434079252 489911806 /nfs/dbraw/zinc/91/18/06/489911806.db2.gz PAEIMTXFQIAGGJ-UHFFFAOYSA-N 1 2 372.794 1.011 20 5 FCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CC1 ZINC000434388383 489925634 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ZINC000449028550 490398517 /nfs/dbraw/zinc/39/85/17/490398517.db2.gz MDGCZDPEYDRBQK-LLVKDONJSA-N 1 2 361.362 0.441 20 5 FCBDLO COC(=O)Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000449028550 490398524 /nfs/dbraw/zinc/39/85/24/490398524.db2.gz MDGCZDPEYDRBQK-LLVKDONJSA-N 1 2 361.362 0.441 20 5 FCBDLO CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450023635 490440270 /nfs/dbraw/zinc/44/02/70/490440270.db2.gz FNSKYMXMPPQJNH-UHFFFAOYSA-N 1 2 358.358 0.878 20 5 FCBDLO COC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450077284 490442290 /nfs/dbraw/zinc/44/22/90/490442290.db2.gz MCGADGXFIZXPSR-AWEZNQCLSA-N 1 2 360.326 0.795 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450312296 490459716 /nfs/dbraw/zinc/45/97/16/490459716.db2.gz GZDNSWHUCWIGCM-ZDUSSCGKSA-N 1 2 366.422 0.356 20 5 FCBDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000523579084 490477465 /nfs/dbraw/zinc/47/74/65/490477465.db2.gz FFEYGPURIXYSSO-OAHLLOKOSA-N 1 2 350.423 0.552 20 5 FCBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000523579084 490477471 /nfs/dbraw/zinc/47/74/71/490477471.db2.gz FFEYGPURIXYSSO-OAHLLOKOSA-N 1 2 350.423 0.552 20 5 FCBDLO CC[C@H](C(=O)OC)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000511857391 490632115 /nfs/dbraw/zinc/63/21/15/490632115.db2.gz BSMYCNFERNACQA-CQSZACIVSA-N 1 2 352.391 0.326 20 5 FCBDLO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cc[nH+]cc1O ZINC000511994910 490648611 /nfs/dbraw/zinc/64/86/11/490648611.db2.gz XFCFYNBVISEUPL-UHFFFAOYSA-N 1 2 366.355 0.424 20 5 FCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000513140963 490710556 /nfs/dbraw/zinc/71/05/56/490710556.db2.gz LPMRQLYALIOQRJ-UHFFFAOYSA-N 1 2 357.330 0.164 20 5 FCBDLO COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000487742713 490728772 /nfs/dbraw/zinc/72/87/72/490728772.db2.gz WNDXTMIKUOMFFL-AWEZNQCLSA-N 1 2 360.326 0.795 20 5 FCBDLO CCOC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000541627495 490867464 /nfs/dbraw/zinc/86/74/64/490867464.db2.gz ZULFUYWELWIKJP-DOMZBBRYSA-N 1 2 353.375 0.704 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000542050647 490883101 /nfs/dbraw/zinc/88/31/01/490883101.db2.gz JGGYUXFUNSGSKH-ZDUSSCGKSA-N 1 2 364.402 0.470 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000542050647 490883104 /nfs/dbraw/zinc/88/31/04/490883104.db2.gz JGGYUXFUNSGSKH-ZDUSSCGKSA-N 1 2 364.402 0.470 20 5 FCBDLO C[C@@](O)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C[NH+]1CCOCC1 ZINC000531436560 490958069 /nfs/dbraw/zinc/95/80/69/490958069.db2.gz UYXOSRRZJDKGPG-MRXNPFEDSA-N 1 2 367.358 0.137 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531911864 490980906 /nfs/dbraw/zinc/98/09/06/490980906.db2.gz ZVXZTKCKGMTARY-QWHCGFSZSA-N 1 2 370.431 0.912 20 5 FCBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595374766 491925389 /nfs/dbraw/zinc/92/53/89/491925389.db2.gz JMWKZOQJFJAETN-WCFLWFBJSA-N 1 2 356.404 0.288 20 5 FCBDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595374766 491925390 /nfs/dbraw/zinc/92/53/90/491925390.db2.gz JMWKZOQJFJAETN-WCFLWFBJSA-N 1 2 356.404 0.288 20 5 FCBDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000557875517 491402973 /nfs/dbraw/zinc/40/29/73/491402973.db2.gz FPOTUWFPPNZJPM-ZDUSSCGKSA-N 1 2 364.358 0.287 20 5 FCBDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000557875517 491402974 /nfs/dbraw/zinc/40/29/74/491402974.db2.gz FPOTUWFPPNZJPM-ZDUSSCGKSA-N 1 2 364.358 0.287 20 5 FCBDLO C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000566849024 491470783 /nfs/dbraw/zinc/47/07/83/491470783.db2.gz NYLWUHJSUBXLAA-CJNGLKHVSA-N 1 2 351.403 0.850 20 5 FCBDLO 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ZINC000587062709 491734585 /nfs/dbraw/zinc/73/45/85/491734585.db2.gz XEPFYWPQVDMMRT-SNVBAGLBSA-N 1 2 365.371 0.184 20 5 FCBDLO NS(=O)(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000589103135 491755333 /nfs/dbraw/zinc/75/53/33/491755333.db2.gz POULRJNUNDFQIW-UHFFFAOYSA-N 1 2 363.399 0.964 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000581461568 491774007 /nfs/dbraw/zinc/77/40/07/491774007.db2.gz WTBQQXMWMAGSCT-UHFFFAOYSA-N 1 2 364.406 0.079 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000590378095 491774333 /nfs/dbraw/zinc/77/43/33/491774333.db2.gz DLIXSJGCCLHALK-UHFFFAOYSA-N 1 2 350.356 0.920 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000590378095 491774334 /nfs/dbraw/zinc/77/43/34/491774334.db2.gz DLIXSJGCCLHALK-UHFFFAOYSA-N 1 2 350.356 0.920 20 5 FCBDLO CCC(CC)(NC(=O)C1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C1)C(N)=O ZINC000581679791 491782497 /nfs/dbraw/zinc/78/24/97/491782497.db2.gz NVIUGRYRJSHPQG-UHFFFAOYSA-N 1 2 364.402 0.893 20 5 FCBDLO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000594967392 491873558 /nfs/dbraw/zinc/87/35/58/491873558.db2.gz YCNAWTBAXVFUPF-YGRLFVJLSA-N 1 2 360.388 0.514 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596109007 491975877 /nfs/dbraw/zinc/97/58/77/491975877.db2.gz ZGUUGKGGRKJIIN-LBPRGKRZSA-N 1 2 366.422 0.235 20 5 FCBDLO NC(=O)c1cc(Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000596123670 491976319 /nfs/dbraw/zinc/97/63/19/491976319.db2.gz ZGPYQVOBTLODLU-UHFFFAOYSA-N 1 2 360.374 0.966 20 5 FCBDLO NS(=O)(=O)c1cccc(N2CCC[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596246818 491981029 /nfs/dbraw/zinc/98/10/29/491981029.db2.gz HQQWKYLOXXMWQZ-LBPRGKRZSA-N 1 2 370.431 0.543 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614854093 492060403 /nfs/dbraw/zinc/06/04/03/492060403.db2.gz PDVNIQUMKAHTGT-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614854093 492060404 /nfs/dbraw/zinc/06/04/04/492060404.db2.gz PDVNIQUMKAHTGT-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614853837 492060477 /nfs/dbraw/zinc/06/04/77/492060477.db2.gz HIOMKAXYHNYVAX-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000614853837 492060478 /nfs/dbraw/zinc/06/04/78/492060478.db2.gz HIOMKAXYHNYVAX-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000597848538 492070642 /nfs/dbraw/zinc/07/06/42/492070642.db2.gz WWDQNMPBBDANGA-ZDUSSCGKSA-N 1 2 350.379 0.791 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598634750 492110575 /nfs/dbraw/zinc/11/05/75/492110575.db2.gz RVOVEJCSDKLAHO-OLZOCXBDSA-N 1 2 366.422 0.743 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598634750 492110577 /nfs/dbraw/zinc/11/05/77/492110577.db2.gz RVOVEJCSDKLAHO-OLZOCXBDSA-N 1 2 366.422 0.743 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1 ZINC000598947307 492126419 /nfs/dbraw/zinc/12/64/19/492126419.db2.gz LRGKCKQJWUIFRW-NSHDSACASA-N 1 2 364.383 0.940 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000608778059 492192731 /nfs/dbraw/zinc/19/27/31/492192731.db2.gz UJABLQASJOJUMO-NSHDSACASA-N 1 2 351.359 0.817 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000608778059 492192733 /nfs/dbraw/zinc/19/27/33/492192733.db2.gz UJABLQASJOJUMO-NSHDSACASA-N 1 2 351.359 0.817 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000609709138 492219709 /nfs/dbraw/zinc/21/97/09/492219709.db2.gz CATNIMWHLLKSOM-DZGCQCFKSA-N 1 2 373.406 0.321 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000619497886 492266339 /nfs/dbraw/zinc/26/63/39/492266339.db2.gz DKBONSAEWFRNFU-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000619497886 492266341 /nfs/dbraw/zinc/26/63/41/492266341.db2.gz DKBONSAEWFRNFU-NEPJUHHUSA-N 1 2 373.431 0.679 20 5 FCBDLO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCOC)C2)c([N+](=O)[O-])n1 ZINC000611105491 492278245 /nfs/dbraw/zinc/27/82/45/492278245.db2.gz XFJSIDZOYYGBCU-LLVKDONJSA-N 1 2 361.424 0.200 20 5 FCBDLO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)c([N+](=O)[O-])n1 ZINC000611105491 492278246 /nfs/dbraw/zinc/27/82/46/492278246.db2.gz XFJSIDZOYYGBCU-LLVKDONJSA-N 1 2 361.424 0.200 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])n1 ZINC000611540719 492289965 /nfs/dbraw/zinc/28/99/65/492289965.db2.gz QCISXCUYDCTFOU-VXGBXAGGSA-N 1 2 373.435 0.031 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444346321 536000531 /nfs/dbraw/zinc/00/05/31/536000531.db2.gz UYHNBRCBWYGLEI-JTQLQIEISA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444346321 536000533 /nfs/dbraw/zinc/00/05/33/536000533.db2.gz UYHNBRCBWYGLEI-JTQLQIEISA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444346321 536000540 /nfs/dbraw/zinc/00/05/40/536000540.db2.gz UYHNBRCBWYGLEI-JTQLQIEISA-N 1 2 353.379 0.590 20 5 FCBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000444346321 536000545 /nfs/dbraw/zinc/00/05/45/536000545.db2.gz UYHNBRCBWYGLEI-JTQLQIEISA-N 1 2 353.379 0.590 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000546831581 546888939 /nfs/dbraw/zinc/88/89/39/546888939.db2.gz RKTBACYFTTUPFS-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000546831581 546888944 /nfs/dbraw/zinc/88/89/44/546888944.db2.gz RKTBACYFTTUPFS-JTQLQIEISA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000546832355 546888960 /nfs/dbraw/zinc/88/89/60/546888960.db2.gz HFSVZWVUGJYEDN-SNVBAGLBSA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@H](C)C1 ZINC000546832355 546888963 /nfs/dbraw/zinc/88/89/63/546888963.db2.gz HFSVZWVUGJYEDN-SNVBAGLBSA-N 1 2 351.363 0.281 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592532132 546953528 /nfs/dbraw/zinc/95/35/28/546953528.db2.gz MTOMHQSIDXDZAD-NEPJUHHUSA-N 1 2 352.343 0.722 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592532132 546953533 /nfs/dbraw/zinc/95/35/33/546953533.db2.gz MTOMHQSIDXDZAD-NEPJUHHUSA-N 1 2 352.343 0.722 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593554668 546974680 /nfs/dbraw/zinc/97/46/80/546974680.db2.gz AKTYLZFUUVSQGA-LBPRGKRZSA-N 1 2 350.306 0.900 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593554668 546974684 /nfs/dbraw/zinc/97/46/84/546974684.db2.gz AKTYLZFUUVSQGA-LBPRGKRZSA-N 1 2 350.306 0.900 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000594577444 547001571 /nfs/dbraw/zinc/00/15/71/547001571.db2.gz QLDSDYJCLUSLAY-LBPRGKRZSA-N 1 2 350.379 0.866 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737174626 599118188 /nfs/dbraw/zinc/11/81/88/599118188.db2.gz WIDRLSXVFGTJBB-RUZDIDTESA-N 1 2 365.419 0.275 20 5 FCBDLO CC[N@@H+](Cc1nncn1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713086 674551206 /nfs/dbraw/zinc/55/12/06/674551206.db2.gz LETJGFYVBGRDIT-ZIAGYGMSSA-N 1 2 350.423 0.541 20 5 FCBDLO CC[N@H+](Cc1nncn1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713086 674551209 /nfs/dbraw/zinc/55/12/09/674551209.db2.gz LETJGFYVBGRDIT-ZIAGYGMSSA-N 1 2 350.423 0.541 20 5 FCBDLO CC(C)n1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000985431066 665166919 /nfs/dbraw/zinc/16/69/19/665166919.db2.gz LRIQOGVANNOKRY-HUUCEWRRSA-N 1 2 350.423 0.947 20 5 FCBDLO CC(C)n1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000985431066 665166921 /nfs/dbraw/zinc/16/69/21/665166921.db2.gz LRIQOGVANNOKRY-HUUCEWRRSA-N 1 2 350.423 0.947 20 5 FCBDLO COc1ccc(CSCC(=O)N2CC[N@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912748020 666472971 /nfs/dbraw/zinc/47/29/71/666472971.db2.gz ZWLASTXGMXYACT-ZDUSSCGKSA-N 1 2 369.443 0.972 20 5 FCBDLO COc1ccc(CSCC(=O)N2CC[N@@H+](C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000912748020 666472973 /nfs/dbraw/zinc/47/29/73/666472973.db2.gz ZWLASTXGMXYACT-ZDUSSCGKSA-N 1 2 369.443 0.972 20 5 FCBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000796275676 669094023 /nfs/dbraw/zinc/09/40/23/669094023.db2.gz MXQFQZFOSBYYGV-UHFFFAOYSA-N 1 2 368.371 0.703 20 5 FCBDLO C[C@H]1C[N@H+](CCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000800083175 673413901 /nfs/dbraw/zinc/41/39/01/673413901.db2.gz ZVMHPRQPENYQBQ-LBPRGKRZSA-N 1 2 351.359 0.589 20 5 FCBDLO C[C@H]1C[N@@H+](CCOC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000800083175 673413903 /nfs/dbraw/zinc/41/39/03/673413903.db2.gz ZVMHPRQPENYQBQ-LBPRGKRZSA-N 1 2 351.359 0.589 20 5 FCBDLO O=C(N[C@H]1C[C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139907 675435589 /nfs/dbraw/zinc/43/55/89/675435589.db2.gz QYHJUFCFQNKOOM-FNCVBFRFSA-N 1 2 363.296 0.576 20 5 FCBDLO CC(C)n1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001045436157 675653485 /nfs/dbraw/zinc/65/34/85/675653485.db2.gz KJQOYCQIRGQOFJ-ZIAGYGMSSA-N 1 2 350.423 0.995 20 5 FCBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912899184 1196382982 /nfs/dbraw/zinc/38/29/82/1196382982.db2.gz YFOXRQGXPNVKHC-UHFFFAOYSA-N 1 2 364.402 0.839 20 5 FCBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912899184 1196382983 /nfs/dbraw/zinc/38/29/83/1196382983.db2.gz YFOXRQGXPNVKHC-UHFFFAOYSA-N 1 2 364.402 0.839 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592200958 1196560637 /nfs/dbraw/zinc/56/06/37/1196560637.db2.gz XFVHLGQOMIIZQO-JSGCOSHPSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592200958 1196560639 /nfs/dbraw/zinc/56/06/39/1196560639.db2.gz XFVHLGQOMIIZQO-JSGCOSHPSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000592905776 1196587602 /nfs/dbraw/zinc/58/76/02/1196587602.db2.gz AVEIVWPFPSKQAQ-OLZOCXBDSA-N 1 2 374.353 0.777 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000807280478 1202816487 /nfs/dbraw/zinc/81/64/87/1202816487.db2.gz KNOAKUFSFDWHQN-GFCCVEGCSA-N 1 2 362.342 0.700 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nc(Cc3ccccc3)no2)c1 ZINC000818979686 1203146937 /nfs/dbraw/zinc/14/69/37/1203146937.db2.gz UHXZXGWSQDVHQV-CQSZACIVSA-N 1 2 358.358 0.916 20 5 FCBDLO O=C(NCc1cn(C2C[NH+](Cc3ccccc3)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001094290456 1206215004 /nfs/dbraw/zinc/21/50/04/1206215004.db2.gz CGSXYNKGHFWHHG-HZPDHXFCSA-N 1 2 356.386 0.616 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccc1)CC1(O)C[NH+](CCCO)C1 ZINC001177525819 1206341297 /nfs/dbraw/zinc/34/12/97/1206341297.db2.gz ZPTGJXWIFURCNJ-HZPDHXFCSA-N 1 2 363.414 0.110 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccccc1 ZINC001195761950 1208037363 /nfs/dbraw/zinc/03/73/63/1208037363.db2.gz SWTNYEFGHLJHEE-HZPDHXFCSA-N 1 2 360.414 0.502 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccccc1 ZINC001195761950 1208037366 /nfs/dbraw/zinc/03/73/66/1208037366.db2.gz SWTNYEFGHLJHEE-HZPDHXFCSA-N 1 2 360.414 0.502 20 5 FCBDLO C[C@@H]1C[N@H+](CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800118744 1210711163 /nfs/dbraw/zinc/71/11/63/1210711163.db2.gz IJISMBPBOLXLAI-LLVKDONJSA-N 1 2 365.342 0.767 20 5 FCBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800118744 1210711166 /nfs/dbraw/zinc/71/11/66/1210711166.db2.gz IJISMBPBOLXLAI-LLVKDONJSA-N 1 2 365.342 0.767 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000954239468 1213050302 /nfs/dbraw/zinc/05/03/02/1213050302.db2.gz JCMXVIQIEHMUTF-HUUCEWRRSA-N 1 2 370.369 0.215 20 5 FCBDLO CC(C)(C(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1c[nH+]c[nH]1 ZINC000956367359 1213187666 /nfs/dbraw/zinc/18/76/66/1213187666.db2.gz VDVYJDZIXWOBLJ-VXGBXAGGSA-N 1 2 363.418 0.850 20 5 FCBDLO O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011114767 1213830801 /nfs/dbraw/zinc/83/08/01/1213830801.db2.gz WJDAOGUIHWDZHR-IUODEOHRSA-N 1 2 361.402 0.098 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001014001054 1213916891 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/nfs/dbraw/zinc/90/23/96/1218902396.db2.gz IEKPQSVMEDGVRZ-HZPDHXFCSA-N 1 2 356.386 0.575 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cc3n(n1)CCCC3)C2 ZINC001072725935 1219620952 /nfs/dbraw/zinc/62/09/52/1219620952.db2.gz WDORZSWZIRBLJB-HZPDHXFCSA-N 1 2 359.430 0.919 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1cc3n(n1)CCCC3)C2 ZINC001072725935 1219620954 /nfs/dbraw/zinc/62/09/54/1219620954.db2.gz WDORZSWZIRBLJB-HZPDHXFCSA-N 1 2 359.430 0.919 20 5 FCBDLO CC(=O)N1CC[C@H](C[N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000754772497 1220121128 /nfs/dbraw/zinc/12/11/28/1220121128.db2.gz BMTURDZHVJZCAX-GFCCVEGCSA-N 1 2 360.370 0.949 20 5 FCBDLO CC(=O)N1CC[C@H](C[N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000754772497 1220121134 /nfs/dbraw/zinc/12/11/34/1220121134.db2.gz BMTURDZHVJZCAX-GFCCVEGCSA-N 1 2 360.370 0.949 20 5 FCBDLO COc1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001123372603 1222330394 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ANPASXXBSVPCPS-ZIAGYGMSSA-N 1 2 361.402 0.389 20 5 FCBDLO COCCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000997770914 1251700828 /nfs/dbraw/zinc/70/08/28/1251700828.db2.gz BIJCGQRPWBOXLW-CHWSQXEVSA-N 1 2 367.406 0.252 20 5 FCBDLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC001031660613 1253881399 /nfs/dbraw/zinc/88/13/99/1253881399.db2.gz MNVXRHBJNOLOQT-GDBMZVCRSA-N 1 2 358.398 0.289 20 5 FCBDLO CC(C)c1[nH+]ccn1CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001063081766 1254302914 /nfs/dbraw/zinc/30/29/14/1254302914.db2.gz VGPCEGABNBSXHI-CHWSQXEVSA-N 1 2 363.418 0.827 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001253346799 1259835247 /nfs/dbraw/zinc/83/52/47/1259835247.db2.gz UEASPGFLMRKSDU-UHFFFAOYSA-N 1 2 366.374 0.508 20 5 FCBDLO Cn1nccc1[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001304013355 1263124484 /nfs/dbraw/zinc/12/44/84/1263124484.db2.gz ITMATGCSKWTCCP-HNNXBMFYSA-N 1 2 356.342 0.977 20 5 FCBDLO Cn1nccc1[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001304013357 1263125212 /nfs/dbraw/zinc/12/52/12/1263125212.db2.gz ITMATGCSKWTCCP-OAHLLOKOSA-N 1 2 356.342 0.977 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001319736679 1263726388 /nfs/dbraw/zinc/72/63/88/1263726388.db2.gz LFEUOVNKBNATDX-LLVKDONJSA-N 1 2 357.370 0.823 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001319736679 1263726392 /nfs/dbraw/zinc/72/63/92/1263726392.db2.gz LFEUOVNKBNATDX-LLVKDONJSA-N 1 2 357.370 0.823 20 5 FCBDLO CN(CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001591105470 1284180098 /nfs/dbraw/zinc/18/00/98/1284180098.db2.gz MOHWSPKZIFELAD-UHFFFAOYSA-N 1 2 371.361 0.611 20 5 FCBDLO CN(CC[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699001060 1289542342 /nfs/dbraw/zinc/54/23/42/1289542342.db2.gz HOISQDQIGLWILT-BXUZGUMPSA-N 1 2 370.356 0.959 20 5 FCBDLO CN(CC[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699001060 1289542349 /nfs/dbraw/zinc/54/23/49/1289542349.db2.gz HOISQDQIGLWILT-BXUZGUMPSA-N 1 2 370.356 0.959 20 5 FCBDLO CCOc1nnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)s1 ZINC001754980704 1290639328 /nfs/dbraw/zinc/63/93/28/1290639328.db2.gz NWJMSPAHMVANQV-NXEZZACHSA-N 1 2 355.420 0.731 20 5 FCBDLO O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001689609604 1294813265 /nfs/dbraw/zinc/81/32/65/1294813265.db2.gz URFDZBHZXQJNTJ-ZIAGYGMSSA-N 1 2 370.369 0.311 20 5 FCBDLO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CCc1[nH+]ccn1C ZINC001067389047 837455840 /nfs/dbraw/zinc/45/58/40/837455840.db2.gz QEYIQOITLXAAHQ-CHWSQXEVSA-N 1 2 351.407 0.325 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746467346 836184301 /nfs/dbraw/zinc/18/43/01/836184301.db2.gz AVSWOJBMALWSFH-MQNRADLISA-N 1 2 371.459 0.331 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086363437 842127713 /nfs/dbraw/zinc/12/77/13/842127713.db2.gz UNMNQRQMPWWTEI-DDHJBXDOSA-N 1 2 351.411 0.078 20 5 FCBDLO CCCCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001107167967 845332510 /nfs/dbraw/zinc/33/25/10/845332510.db2.gz ODOHVEGAFCPRSG-HUUCEWRRSA-N 1 2 350.423 0.997 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001116328465 846657309 /nfs/dbraw/zinc/65/73/09/846657309.db2.gz SUHQFLHVFLLMED-UHFFFAOYSA-N 1 2 350.375 0.808 20 5 FCBDLO O=C(CSCC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001117942477 847224554 /nfs/dbraw/zinc/22/45/54/847224554.db2.gz ZZYUFDLNSNFEOR-UHFFFAOYSA-N 1 2 353.400 0.917 20 5 FCBDLO C[N@@H+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@H]1CO ZINC001151357535 849684942 /nfs/dbraw/zinc/68/49/42/849684942.db2.gz AYPXZDINRUYOEF-VIFPVBQESA-N 1 2 373.207 0.688 20 5 FCBDLO C[N@H+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@H]1CO ZINC001151357535 849684950 /nfs/dbraw/zinc/68/49/50/849684950.db2.gz AYPXZDINRUYOEF-VIFPVBQESA-N 1 2 373.207 0.688 20 5 FCBDLO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001151358029 849685229 /nfs/dbraw/zinc/68/52/29/849685229.db2.gz DSPFEVPMUPLUOE-LLVKDONJSA-N 1 2 352.347 0.868 20 5 FCBDLO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001151358029 849685231 /nfs/dbraw/zinc/68/52/31/849685231.db2.gz DSPFEVPMUPLUOE-LLVKDONJSA-N 1 2 352.347 0.868 20 5 FCBDLO Cn1cc(Br)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767057 849991577 /nfs/dbraw/zinc/99/15/77/849991577.db2.gz FXXDPXCBFXCKCD-LDYMZIIASA-N 1 2 360.212 0.444 20 5 FCBDLO C[NH+](C)C=Cc1cc(Nc2c(O)[nH]c(=O)[nH]c2=S)ncc1[N+](=O)[O-] ZINC001160854608 850206260 /nfs/dbraw/zinc/20/62/60/850206260.db2.gz XHXYRCIQPGYZQR-FSIBCCDJSA-N 1 2 350.360 0.469 20 5 FCBDLO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162856069 850335166 /nfs/dbraw/zinc/33/51/66/850335166.db2.gz VIYQDJIJHSZJRI-VIFPVBQESA-N 1 2 354.367 0.733 20 5 FCBDLO CN(C)c1noc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001164491012 850414130 /nfs/dbraw/zinc/41/41/30/850414130.db2.gz WZTAXUZETOCSHS-GHMZBOCLSA-N 1 2 352.395 0.177 20 5 FCBDLO C[N@@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3S(N)(=O)=O)[C@H]1CC(=O)C2 ZINC001233621119 857388285 /nfs/dbraw/zinc/38/82/85/857388285.db2.gz UWYSGORKAIXTLU-WCQGTBRESA-N 1 2 355.372 0.425 20 5 FCBDLO C[N@H+]1[C@@H]2C[C@H](Oc3cc([N+](=O)[O-])ccc3S(N)(=O)=O)[C@H]1CC(=O)C2 ZINC001233621119 857388296 /nfs/dbraw/zinc/38/82/96/857388296.db2.gz UWYSGORKAIXTLU-WCQGTBRESA-N 1 2 355.372 0.425 20 5 FCBDLO CN1CC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001307872611 866681466 /nfs/dbraw/zinc/68/14/66/866681466.db2.gz TWVKTSJDRLMURH-LBPRGKRZSA-N 1 2 356.404 0.036 20 5 FCBDLO CN1CC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC001307872611 866681474 /nfs/dbraw/zinc/68/14/74/866681474.db2.gz 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COCCNC(=O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121251318 208398742 /nfs/dbraw/zinc/39/87/42/208398742.db2.gz BPLBVBHNGHFYMO-GQCTYLIASA-N 1 2 362.430 0.988 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121251318 208398748 /nfs/dbraw/zinc/39/87/48/208398748.db2.gz BPLBVBHNGHFYMO-GQCTYLIASA-N 1 2 362.430 0.988 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000178674118 209058990 /nfs/dbraw/zinc/05/89/90/209058990.db2.gz VBQSEOIZABDTQK-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000301790567 488884236 /nfs/dbraw/zinc/88/42/36/488884236.db2.gz NGSRFPYPPDIXMQ-AWEZNQCLSA-N 1 2 363.418 0.668 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278703923 488891012 /nfs/dbraw/zinc/89/10/12/488891012.db2.gz OAOIVGRSOWWEST-UHFFFAOYSA-N 1 2 362.390 0.945 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596217 487683321 /nfs/dbraw/zinc/68/33/21/487683321.db2.gz UBQSIRBCTMUKGR-CYBMUJFWSA-N 1 2 351.407 0.653 20 5 FCBDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000029848204 487732973 /nfs/dbraw/zinc/73/29/73/487732973.db2.gz DOLATSVGVRSCMD-UHFFFAOYSA-N 1 2 352.420 0.951 20 5 FCBDLO Cc1nn(C)c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1[N+](=O)[O-] ZINC000047331244 488022692 /nfs/dbraw/zinc/02/26/92/488022692.db2.gz NLDHZHBAJQNPPD-UHFFFAOYSA-N 1 2 357.378 0.640 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000051740132 488143592 /nfs/dbraw/zinc/14/35/92/488143592.db2.gz YDSWXJOBYHAHEL-UHFFFAOYSA-N 1 2 374.401 0.851 20 5 FCBDLO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000364514056 488967365 /nfs/dbraw/zinc/96/73/65/488967365.db2.gz PUZNYLNEUQBKJI-HYVNUMGLSA-N 1 2 372.425 0.774 20 5 FCBDLO NC(=O)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000052742834 488180045 /nfs/dbraw/zinc/18/00/45/488180045.db2.gz UWPKKDXNLRTTQA-UHFFFAOYSA-N 1 2 373.369 0.792 20 5 FCBDLO O=C(C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000052972000 488187751 /nfs/dbraw/zinc/18/77/51/488187751.db2.gz AUJMOKSAFPBBSP-UHFFFAOYSA-N 1 2 360.414 0.904 20 5 FCBDLO CNC(=O)CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000060676859 488291242 /nfs/dbraw/zinc/29/12/42/488291242.db2.gz UUJHLXYSNWWWRD-UHFFFAOYSA-N 1 2 372.385 0.284 20 5 FCBDLO COc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000068862619 488369790 /nfs/dbraw/zinc/36/97/90/488369790.db2.gz XCBMDJSVTYDTJM-LBPRGKRZSA-N 1 2 353.375 0.819 20 5 FCBDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000268411268 488416390 /nfs/dbraw/zinc/41/63/90/488416390.db2.gz UXJKHJXCUCJJKB-RISCZKNCSA-N 1 2 359.342 0.543 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078659512 488424450 /nfs/dbraw/zinc/42/44/50/488424450.db2.gz PWPBEFQVKGKHHL-AWEZNQCLSA-N 1 2 365.434 0.961 20 5 FCBDLO COCCCS(=O)(=O)NCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606136 488456143 /nfs/dbraw/zinc/45/61/43/488456143.db2.gz MDPMQUGYXYRZSG-UHFFFAOYSA-N 1 2 357.432 0.909 20 5 FCBDLO COCCCS(=O)(=O)NCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606136 488456146 /nfs/dbraw/zinc/45/61/46/488456146.db2.gz MDPMQUGYXYRZSG-UHFFFAOYSA-N 1 2 357.432 0.909 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249132360 488507102 /nfs/dbraw/zinc/50/71/02/488507102.db2.gz DFCKUSIDMKGGMO-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249132360 488507103 /nfs/dbraw/zinc/50/71/03/488507103.db2.gz DFCKUSIDMKGGMO-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249492443 488510694 /nfs/dbraw/zinc/51/06/94/488510694.db2.gz FOKBHHHKFXHBQT-KBPBESRZSA-N 1 2 371.459 0.755 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249492443 488510695 /nfs/dbraw/zinc/51/06/95/488510695.db2.gz FOKBHHHKFXHBQT-KBPBESRZSA-N 1 2 371.459 0.755 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000271517797 488524008 /nfs/dbraw/zinc/52/40/08/488524008.db2.gz GNGOFBHTMJADSE-LBPRGKRZSA-N 1 2 368.415 0.835 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271517797 488524010 /nfs/dbraw/zinc/52/40/10/488524010.db2.gz GNGOFBHTMJADSE-LBPRGKRZSA-N 1 2 368.415 0.835 20 5 FCBDLO COC(=O)C[N@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272122552 488563684 /nfs/dbraw/zinc/56/36/84/488563684.db2.gz QNOJEZFUDWTDRU-INIZCTEOSA-N 1 2 362.386 0.870 20 5 FCBDLO COC(=O)C[N@@H+](CCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272122552 488563685 /nfs/dbraw/zinc/56/36/85/488563685.db2.gz QNOJEZFUDWTDRU-INIZCTEOSA-N 1 2 362.386 0.870 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272340130 488574041 /nfs/dbraw/zinc/57/40/41/488574041.db2.gz OKUYUOLHCBSMOV-LBPRGKRZSA-N 1 2 367.358 0.089 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000272856056 488612032 /nfs/dbraw/zinc/61/20/32/488612032.db2.gz RIVKUGVXOFRMOC-CYBMUJFWSA-N 1 2 364.402 0.470 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000264036404 488644454 /nfs/dbraw/zinc/64/44/54/488644454.db2.gz CIJKWQRGRNQRLO-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699807 488682916 /nfs/dbraw/zinc/68/29/16/488682916.db2.gz ZCZDHCSKKWNHIN-DGCLKSJQSA-N 1 2 351.359 0.974 20 5 FCBDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000138699807 488682918 /nfs/dbraw/zinc/68/29/18/488682918.db2.gz ZCZDHCSKKWNHIN-DGCLKSJQSA-N 1 2 351.359 0.974 20 5 FCBDLO CS(=O)(=O)c1ccc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000264550162 488684516 /nfs/dbraw/zinc/68/45/16/488684516.db2.gz CQUQMYMWLAETKD-ZDUSSCGKSA-N 1 2 370.431 0.750 20 5 FCBDLO CS(=O)(=O)c1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000264550162 488684517 /nfs/dbraw/zinc/68/45/17/488684517.db2.gz CQUQMYMWLAETKD-ZDUSSCGKSA-N 1 2 370.431 0.750 20 5 FCBDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000274223102 488691385 /nfs/dbraw/zinc/69/13/85/488691385.db2.gz VLIFOALCSPGSOY-QWHCGFSZSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000274223102 488691386 /nfs/dbraw/zinc/69/13/86/488691386.db2.gz VLIFOALCSPGSOY-QWHCGFSZSA-N 1 2 358.416 0.844 20 5 FCBDLO NC(=O)c1cccnc1N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154501900 488744139 /nfs/dbraw/zinc/74/41/39/488744139.db2.gz JIMHTAWHPYJOTK-INIZCTEOSA-N 1 2 371.397 0.944 20 5 FCBDLO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1C[N@H+](C)CCO1 ZINC000157297282 488770510 /nfs/dbraw/zinc/77/05/10/488770510.db2.gz TZUZLTWWRNPIES-ABAIWWIYSA-N 1 2 360.374 0.624 20 5 FCBDLO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000157297282 488770512 /nfs/dbraw/zinc/77/05/12/488770512.db2.gz TZUZLTWWRNPIES-ABAIWWIYSA-N 1 2 360.374 0.624 20 5 FCBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)S1 ZINC000267237459 488771665 /nfs/dbraw/zinc/77/16/65/488771665.db2.gz XFFIXLZZAVCJBO-VIFPVBQESA-N 1 2 351.388 0.945 20 5 FCBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)S1 ZINC000267237457 488771685 /nfs/dbraw/zinc/77/16/85/488771685.db2.gz XFFIXLZZAVCJBO-SECBINFHSA-N 1 2 351.388 0.945 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275197972 488771847 /nfs/dbraw/zinc/77/18/47/488771847.db2.gz AMYDIKZVIIBJFW-LBPRGKRZSA-N 1 2 350.375 0.367 20 5 FCBDLO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000160387636 488790956 /nfs/dbraw/zinc/79/09/56/488790956.db2.gz YBLBZYFBLWWFJW-CYBMUJFWSA-N 1 2 357.432 0.983 20 5 FCBDLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000267571445 488799564 /nfs/dbraw/zinc/79/95/64/488799564.db2.gz DNJWJSCIVJOLTI-CZUORRHYSA-N 1 2 366.418 0.990 20 5 FCBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000267616954 488805176 /nfs/dbraw/zinc/80/51/76/488805176.db2.gz PKLWFOARCKMQAP-CYBMUJFWSA-N 1 2 352.391 0.158 20 5 FCBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000267616954 488805178 /nfs/dbraw/zinc/80/51/78/488805178.db2.gz PKLWFOARCKMQAP-CYBMUJFWSA-N 1 2 352.391 0.158 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000267737665 488816209 /nfs/dbraw/zinc/81/62/09/488816209.db2.gz VDHZMRJNYIKDMI-CQSZACIVSA-N 1 2 367.402 0.515 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000267737663 488816355 /nfs/dbraw/zinc/81/63/55/488816355.db2.gz VDHZMRJNYIKDMI-AWEZNQCLSA-N 1 2 367.402 0.515 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171021550 488818894 /nfs/dbraw/zinc/81/88/94/488818894.db2.gz WIIQSBTXOLVCMY-UHFFFAOYSA-N 1 2 350.404 0.982 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171021550 488818895 /nfs/dbraw/zinc/81/88/95/488818895.db2.gz WIIQSBTXOLVCMY-UHFFFAOYSA-N 1 2 350.404 0.982 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173003252 488839949 /nfs/dbraw/zinc/83/99/49/488839949.db2.gz IZYFUMWEABWKSP-CYBMUJFWSA-N 1 2 360.414 0.949 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174494042 488849474 /nfs/dbraw/zinc/84/94/74/488849474.db2.gz YQDKMNPGAYTSGN-CQSZACIVSA-N 1 2 351.407 0.813 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364642645 488981165 /nfs/dbraw/zinc/98/11/65/488981165.db2.gz FEFUHULIDVROAJ-UHFFFAOYSA-N 1 2 365.386 0.600 20 5 FCBDLO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000280870392 489036948 /nfs/dbraw/zinc/03/69/48/489036948.db2.gz YIFVQLGTRRJUHV-UHFFFAOYSA-N 1 2 367.387 0.276 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000289834416 489096297 /nfs/dbraw/zinc/09/62/97/489096297.db2.gz AUSFWIQIHXTDRN-LBPRGKRZSA-N 1 2 364.402 0.933 20 5 FCBDLO NC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000366075588 489141708 /nfs/dbraw/zinc/14/17/08/489141708.db2.gz WGNDIKAEPKIYKL-UHFFFAOYSA-N 1 2 372.784 0.949 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000366075588 489141712 /nfs/dbraw/zinc/14/17/12/489141712.db2.gz WGNDIKAEPKIYKL-UHFFFAOYSA-N 1 2 372.784 0.949 20 5 FCBDLO Cn1c[nH+]cc1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000291859445 489175177 /nfs/dbraw/zinc/17/51/77/489175177.db2.gz KAGGECYHTPYHFA-UHFFFAOYSA-N 1 2 367.387 0.601 20 5 FCBDLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295317785 489192250 /nfs/dbraw/zinc/19/22/50/489192250.db2.gz LKRXRWCMMOCKGH-OAHLLOKOSA-N 1 2 372.447 0.489 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298499827 489332159 /nfs/dbraw/zinc/33/21/59/489332159.db2.gz KBDRMTBUGOUQEA-WCQYABFASA-N 1 2 367.358 0.540 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298499827 489332162 /nfs/dbraw/zinc/33/21/62/489332162.db2.gz KBDRMTBUGOUQEA-WCQYABFASA-N 1 2 367.358 0.540 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298633590 489347285 /nfs/dbraw/zinc/34/72/85/489347285.db2.gz OZMZVJKTVWXPTJ-JTQLQIEISA-N 1 2 370.793 0.712 20 5 FCBDLO C[C@H](CO)N(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000286134420 489359848 /nfs/dbraw/zinc/35/98/48/489359848.db2.gz AQLMLHFMLNQXDJ-GFCCVEGCSA-N 1 2 372.447 0.348 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000361982201 489370747 /nfs/dbraw/zinc/37/07/47/489370747.db2.gz RFMWFFCQAOBQOS-GJZGRUSLSA-N 1 2 355.416 0.815 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299384516 489437137 /nfs/dbraw/zinc/43/71/37/489437137.db2.gz IKJYRVUDBKKWQK-UHFFFAOYSA-N 1 2 366.422 0.112 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486943 489470921 /nfs/dbraw/zinc/47/09/21/489470921.db2.gz GAKHWUGSPDLNRN-GWCFXTLKSA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000363486943 489470924 /nfs/dbraw/zinc/47/09/24/489470924.db2.gz GAKHWUGSPDLNRN-GWCFXTLKSA-N 1 2 356.404 0.545 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416578028 489612887 /nfs/dbraw/zinc/61/28/87/489612887.db2.gz GDINJSFDUIWIOH-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416578028 489612888 /nfs/dbraw/zinc/61/28/88/489612888.db2.gz GDINJSFDUIWIOH-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO Nc1c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000457981928 489665208 /nfs/dbraw/zinc/66/52/08/489665208.db2.gz PSXMHYNVHYKORQ-UHFFFAOYSA-N 1 2 364.402 0.788 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472689875 489734813 /nfs/dbraw/zinc/73/48/13/489734813.db2.gz BLMKFEAUOGJMGB-NSHDSACASA-N 1 2 368.365 0.852 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537436 489750586 /nfs/dbraw/zinc/75/05/86/489750586.db2.gz CACWVWCKSLSFSE-UONOGXRCSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537436 489750593 /nfs/dbraw/zinc/75/05/93/489750593.db2.gz CACWVWCKSLSFSE-UONOGXRCSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000376548734 489752229 /nfs/dbraw/zinc/75/22/29/489752229.db2.gz YNLDHKAAHYCTGY-STQMWFEESA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000376548734 489752233 /nfs/dbraw/zinc/75/22/33/489752233.db2.gz YNLDHKAAHYCTGY-STQMWFEESA-N 1 2 354.359 0.598 20 5 FCBDLO COCCC(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000475657584 489840385 /nfs/dbraw/zinc/84/03/85/489840385.db2.gz AZRXFEDVYQQJIR-HNNXBMFYSA-N 1 2 367.402 0.515 20 5 FCBDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)c[nH+]2)CCO1 ZINC000478062424 490004000 /nfs/dbraw/zinc/00/40/00/490004000.db2.gz WCIAVULBUVSIRO-NSHDSACASA-N 1 2 360.374 0.878 20 5 FCBDLO CNS(=O)(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000463200715 490004116 /nfs/dbraw/zinc/00/41/16/490004116.db2.gz HIUWRWJAHHRXPQ-UHFFFAOYSA-N 1 2 368.419 0.489 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000420900040 490029134 /nfs/dbraw/zinc/02/91/34/490029134.db2.gz HZBOWKLZJRMYGN-XBXGTLAGSA-N 1 2 355.416 0.672 20 5 FCBDLO Cn1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000420970919 490037498 /nfs/dbraw/zinc/03/74/98/490037498.db2.gz GSDJUJXRHRIPAF-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO Cn1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000420970919 490037502 /nfs/dbraw/zinc/03/75/02/490037502.db2.gz GSDJUJXRHRIPAF-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO CCCNC(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977405 490038615 /nfs/dbraw/zinc/03/86/15/490038615.db2.gz VCVAVMSBDYWXLW-UHFFFAOYSA-N 1 2 358.420 0.331 20 5 FCBDLO CCCNC(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420977405 490038618 /nfs/dbraw/zinc/03/86/18/490038618.db2.gz VCVAVMSBDYWXLW-UHFFFAOYSA-N 1 2 358.420 0.331 20 5 FCBDLO CCCNC(=O)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421021896 490044026 /nfs/dbraw/zinc/04/40/26/490044026.db2.gz OQURFENKNMQQAW-LBPRGKRZSA-N 1 2 372.447 0.720 20 5 FCBDLO CCCNC(=O)[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421021896 490044033 /nfs/dbraw/zinc/04/40/33/490044033.db2.gz OQURFENKNMQQAW-LBPRGKRZSA-N 1 2 372.447 0.720 20 5 FCBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[NH+]1CCOCC1 ZINC000465049812 490077306 /nfs/dbraw/zinc/07/73/06/490077306.db2.gz PYPFCWCGZORVDZ-UHFFFAOYSA-N 1 2 351.359 0.357 20 5 FCBDLO CN(C)S(=O)(=O)c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000446888335 490168714 /nfs/dbraw/zinc/16/87/14/490168714.db2.gz GWOYBKZKWQGLDT-LBPRGKRZSA-N 1 2 369.447 0.257 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000533377937 490223970 /nfs/dbraw/zinc/22/39/70/490223970.db2.gz IOXWYDQTTHBEMZ-CYBMUJFWSA-N 1 2 371.415 0.975 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000533377937 490223972 /nfs/dbraw/zinc/22/39/72/490223972.db2.gz IOXWYDQTTHBEMZ-CYBMUJFWSA-N 1 2 371.415 0.975 20 5 FCBDLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533423796 490231985 /nfs/dbraw/zinc/23/19/85/490231985.db2.gz UUGGMEHSXXVJFT-JTQLQIEISA-N 1 2 364.358 0.720 20 5 FCBDLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533423796 490231986 /nfs/dbraw/zinc/23/19/86/490231986.db2.gz UUGGMEHSXXVJFT-JTQLQIEISA-N 1 2 364.358 0.720 20 5 FCBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000447670567 490256994 /nfs/dbraw/zinc/25/69/94/490256994.db2.gz NCLFKURJMQDLPO-UHFFFAOYSA-N 1 2 372.385 0.976 20 5 FCBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1[N+](=O)[O-] ZINC000447670567 490257005 /nfs/dbraw/zinc/25/70/05/490257005.db2.gz NCLFKURJMQDLPO-UHFFFAOYSA-N 1 2 372.385 0.976 20 5 FCBDLO C[C@](O)(CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000467476145 490296739 /nfs/dbraw/zinc/29/67/39/490296739.db2.gz GKRSXWRGINVHQS-INIZCTEOSA-N 1 2 363.374 0.284 20 5 FCBDLO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000534272984 490337935 /nfs/dbraw/zinc/33/79/35/490337935.db2.gz PPXXFVICPFBWEZ-ZDUSSCGKSA-N 1 2 357.374 0.708 20 5 FCBDLO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534272984 490337941 /nfs/dbraw/zinc/33/79/41/490337941.db2.gz PPXXFVICPFBWEZ-ZDUSSCGKSA-N 1 2 357.374 0.708 20 5 FCBDLO O=C(CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC1 ZINC000448654557 490370446 /nfs/dbraw/zinc/37/04/46/490370446.db2.gz IBSPIZWCFBQBLP-UHFFFAOYSA-N 1 2 373.369 0.759 20 5 FCBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)N1CCOCC1 ZINC000448819859 490380756 /nfs/dbraw/zinc/38/07/56/490380756.db2.gz YNHQZTFTMPKXTF-GFCCVEGCSA-N 1 2 373.369 0.758 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000448832012 490381552 /nfs/dbraw/zinc/38/15/52/490381552.db2.gz BOYGPXCULRPSFC-AWEZNQCLSA-N 1 2 369.337 0.800 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000522515482 490383065 /nfs/dbraw/zinc/38/30/65/490383065.db2.gz ZVYUQNHTQVXOCX-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000522515482 490383069 /nfs/dbraw/zinc/38/30/69/490383069.db2.gz ZVYUQNHTQVXOCX-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509079975 490387035 /nfs/dbraw/zinc/38/70/35/490387035.db2.gz JLTNCKHTSDAXCJ-UHFFFAOYSA-N 1 2 362.390 0.544 20 5 FCBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509079975 490387042 /nfs/dbraw/zinc/38/70/42/490387042.db2.gz JLTNCKHTSDAXCJ-UHFFFAOYSA-N 1 2 362.390 0.544 20 5 FCBDLO CNC(=O)N[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000468715110 490438524 /nfs/dbraw/zinc/43/85/24/490438524.db2.gz NHPYLCBBGJNKRH-GFCCVEGCSA-N 1 2 358.358 0.924 20 5 FCBDLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509680226 490450968 /nfs/dbraw/zinc/45/09/68/490450968.db2.gz AYHFAAJZVICNBO-VIFPVBQESA-N 1 2 364.374 0.878 20 5 FCBDLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509680226 490450973 /nfs/dbraw/zinc/45/09/73/490450973.db2.gz AYHFAAJZVICNBO-VIFPVBQESA-N 1 2 364.374 0.878 20 5 FCBDLO C[C@H](O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450322209 490459387 /nfs/dbraw/zinc/45/93/87/490459387.db2.gz XTPUCSAWTHNPDL-LBPRGKRZSA-N 1 2 373.369 0.446 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450312295 490459840 /nfs/dbraw/zinc/45/98/40/490459840.db2.gz GZDNSWHUCWIGCM-CYBMUJFWSA-N 1 2 366.422 0.356 20 5 FCBDLO O=C(NCCN1C(=O)CNC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000499934881 490471766 /nfs/dbraw/zinc/47/17/66/490471766.db2.gz ZNJLYCOBKODGPR-UHFFFAOYSA-N 1 2 358.314 0.062 20 5 FCBDLO Cc1c(C(=O)NCCc2[nH]cc[nH+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000468983606 490472161 /nfs/dbraw/zinc/47/21/61/490472161.db2.gz MEESPCVQZIMTOP-UHFFFAOYSA-N 1 2 353.360 0.246 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)NCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000548460387 490489499 /nfs/dbraw/zinc/48/94/99/490489499.db2.gz ZUWZFWYNSULIEC-UHFFFAOYSA-N 1 2 361.358 0.426 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000510691765 490535139 /nfs/dbraw/zinc/53/51/39/490535139.db2.gz VOQDYBNQBBKRRG-LBPRGKRZSA-N 1 2 367.387 0.898 20 5 FCBDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000510691765 490535142 /nfs/dbraw/zinc/53/51/42/490535142.db2.gz VOQDYBNQBBKRRG-LBPRGKRZSA-N 1 2 367.387 0.898 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000524772858 490558161 /nfs/dbraw/zinc/55/81/61/490558161.db2.gz KFWUUXMNGWEHCS-GFCCVEGCSA-N 1 2 365.386 0.745 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000524772858 490558164 /nfs/dbraw/zinc/55/81/64/490558164.db2.gz KFWUUXMNGWEHCS-GFCCVEGCSA-N 1 2 365.386 0.745 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517840084 490922878 /nfs/dbraw/zinc/92/28/78/490922878.db2.gz JSKSMKPLKLDPQP-LBPRGKRZSA-N 1 2 360.374 0.626 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517840084 490922880 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0.444 20 5 FCBDLO CC1CCN(C(=O)C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000981136708 664813890 /nfs/dbraw/zinc/81/38/90/664813890.db2.gz GLPQJUGOFOKVIK-HUUCEWRRSA-N 1 2 352.435 0.444 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000920017277 667219903 /nfs/dbraw/zinc/21/99/03/667219903.db2.gz ATJVKNFDJPWNSA-TZMCWYRMSA-N 1 2 356.448 0.816 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000920017277 667219905 /nfs/dbraw/zinc/21/99/05/667219905.db2.gz ATJVKNFDJPWNSA-TZMCWYRMSA-N 1 2 356.448 0.816 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3nncs3)C[C@H]2CC1 ZINC000946589327 667669102 /nfs/dbraw/zinc/66/91/02/667669102.db2.gz SIYODOFOOXRSOC-YVECIDJPSA-N 1 2 351.432 0.874 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3nncs3)C[C@H]2CC1 ZINC000946589327 667669103 /nfs/dbraw/zinc/66/91/03/667669103.db2.gz SIYODOFOOXRSOC-YVECIDJPSA-N 1 2 351.432 0.874 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796561462 669108874 /nfs/dbraw/zinc/10/88/74/669108874.db2.gz LHTNSQWZOORWAW-ZDUSSCGKSA-N 1 2 355.782 0.695 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)Cc2cccnc2Cl)c1 ZINC000796561462 669108876 /nfs/dbraw/zinc/10/88/76/669108876.db2.gz LHTNSQWZOORWAW-ZDUSSCGKSA-N 1 2 355.782 0.695 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)s3)C[C@@H]2C1 ZINC001048812709 675898235 /nfs/dbraw/zinc/89/82/35/675898235.db2.gz ODFCKIQMYCDQTH-YVECIDJPSA-N 1 2 363.443 0.971 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)s3)C[C@@H]2C1 ZINC001048812709 675898237 /nfs/dbraw/zinc/89/82/37/675898237.db2.gz ODFCKIQMYCDQTH-YVECIDJPSA-N 1 2 363.443 0.971 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000853308591 671546189 /nfs/dbraw/zinc/54/61/89/671546189.db2.gz OSNPECFBEDQDHH-UHFFFAOYSA-N 1 2 362.839 0.986 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866424411 672272727 /nfs/dbraw/zinc/27/27/27/672272727.db2.gz HMDLJBWNCMBYGS-CYBMUJFWSA-N 1 2 355.366 0.428 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1F ZINC000866768425 672301418 /nfs/dbraw/zinc/30/14/18/672301418.db2.gz AMXRMSKAUMJHRZ-LLVKDONJSA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1F ZINC000866768425 672301423 /nfs/dbraw/zinc/30/14/23/672301423.db2.gz AMXRMSKAUMJHRZ-LLVKDONJSA-N 1 2 360.411 0.566 20 5 FCBDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc21 ZINC001025778089 1182824567 /nfs/dbraw/zinc/82/45/67/1182824567.db2.gz RCDJBZROCOYDKH-CNKGYHKASA-N 1 2 370.409 0.287 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc21 ZINC001025778089 1182824572 /nfs/dbraw/zinc/82/45/72/1182824572.db2.gz RCDJBZROCOYDKH-CNKGYHKASA-N 1 2 370.409 0.287 20 5 FCBDLO Cc1cccc(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775402 1182831094 /nfs/dbraw/zinc/83/10/94/1182831094.db2.gz XEKUWHSRZSOOHX-GAGVYUBLSA-N 1 2 358.398 0.645 20 5 FCBDLO Cc1cccc(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775402 1182831097 /nfs/dbraw/zinc/83/10/97/1182831097.db2.gz XEKUWHSRZSOOHX-GAGVYUBLSA-N 1 2 358.398 0.645 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccco4)no3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775541 1182831269 /nfs/dbraw/zinc/83/12/69/1182831269.db2.gz FFBQUDPTPSEGFJ-QEGBUVANSA-N 1 2 359.342 0.541 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccco4)no3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775541 1182831273 /nfs/dbraw/zinc/83/12/73/1182831273.db2.gz FFBQUDPTPSEGFJ-QEGBUVANSA-N 1 2 359.342 0.541 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000840482632 1190012041 /nfs/dbraw/zinc/01/20/41/1190012041.db2.gz CICHSSAVKOGJRR-UHFFFAOYSA-N 1 2 370.381 0.735 20 5 FCBDLO Cc1ccccc1Cc1noc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126939403 1194628354 /nfs/dbraw/zinc/62/83/54/1194628354.db2.gz WRJAVURGULUFOM-ZIAGYGMSSA-N 1 2 359.386 0.840 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593404237 1196781614 /nfs/dbraw/zinc/78/16/14/1196781614.db2.gz OEXMPGANZRBXHW-UHFFFAOYSA-N 1 2 366.393 0.947 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593404237 1196781621 /nfs/dbraw/zinc/78/16/21/1196781621.db2.gz OEXMPGANZRBXHW-UHFFFAOYSA-N 1 2 366.393 0.947 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C2 ZINC000593699309 1196814811 /nfs/dbraw/zinc/81/48/11/1196814811.db2.gz OUTBFZNIXKZNRQ-JTQLQIEISA-N 1 2 360.374 0.357 20 5 FCBDLO CN(Cc1ccccc1CNC(=O)Cn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001060503231 1197826179 /nfs/dbraw/zinc/82/61/79/1197826179.db2.gz YSHMONCTYDMNTF-HZPDHXFCSA-N 1 2 371.397 0.823 20 5 FCBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000787121919 1200864659 /nfs/dbraw/zinc/86/46/59/1200864659.db2.gz RDMZOCYHYQKXSL-AWEZNQCLSA-N 1 2 364.402 0.740 20 5 FCBDLO Cc1cncc(C[NH2+]Cc2cn(C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nn2)c1 ZINC001093319187 1206075043 /nfs/dbraw/zinc/07/50/43/1206075043.db2.gz ZZJRJRIPUHAWTE-HZPDHXFCSA-N 1 2 371.401 0.320 20 5 FCBDLO O=C1CN(C[N@@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000776774312 1209654788 /nfs/dbraw/zinc/65/47/88/1209654788.db2.gz KBGUSPLOKUSQMW-AWEZNQCLSA-N 1 2 371.357 0.859 20 5 FCBDLO O=C1CN(C[N@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000776774312 1209654789 /nfs/dbraw/zinc/65/47/89/1209654789.db2.gz KBGUSPLOKUSQMW-AWEZNQCLSA-N 1 2 371.357 0.859 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934322145 1211861380 /nfs/dbraw/zinc/86/13/80/1211861380.db2.gz JDHDOAKBEHPKSN-BBWFWOEESA-N 1 2 363.414 0.850 20 5 FCBDLO Cn1cc[nH+]c1CCC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000949265653 1212339167 /nfs/dbraw/zinc/33/91/67/1212339167.db2.gz VKYMYLLMKVGLFL-ZIAGYGMSSA-N 1 2 363.418 0.373 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000779558112 1212714573 /nfs/dbraw/zinc/71/45/73/1212714573.db2.gz MOCBWKVNTGBRDI-LBPRGKRZSA-N 1 2 363.286 0.671 20 5 FCBDLO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000955123207 1213134256 /nfs/dbraw/zinc/13/42/56/1213134256.db2.gz YZRUFZIIQGOXIE-HUUCEWRRSA-N 1 2 370.369 0.215 20 5 FCBDLO CCC[N@H+](CC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000795506802 1213160268 /nfs/dbraw/zinc/16/02/68/1213160268.db2.gz MJXALBDRTXRKLV-UHFFFAOYSA-N 1 2 363.418 0.441 20 5 FCBDLO CCC[N@@H+](CC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000795506802 1213160270 /nfs/dbraw/zinc/16/02/70/1213160270.db2.gz MJXALBDRTXRKLV-UHFFFAOYSA-N 1 2 363.418 0.441 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)N1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001010651807 1213806031 /nfs/dbraw/zinc/80/60/31/1213806031.db2.gz CKBXMXHCEADZCP-ZIAGYGMSSA-N 1 2 361.402 0.079 20 5 FCBDLO CC(C)c1[nH+]ccn1CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011115456 1213830841 /nfs/dbraw/zinc/83/08/41/1213830841.db2.gz FNNBZQMCROZHKM-ZIAGYGMSSA-N 1 2 363.418 0.733 20 5 FCBDLO CN(C)c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001017545500 1214115930 /nfs/dbraw/zinc/11/59/30/1214115930.db2.gz JHSWLBMOKTUBST-QKPAOTATSA-N 1 2 359.430 0.988 20 5 FCBDLO CN(C)c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001017545500 1214115934 /nfs/dbraw/zinc/11/59/34/1214115934.db2.gz JHSWLBMOKTUBST-QKPAOTATSA-N 1 2 359.430 0.988 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019279373 1214229488 /nfs/dbraw/zinc/22/94/88/1214229488.db2.gz YUGGCFAGTIFJGK-ZIAGYGMSSA-N 1 2 361.402 0.079 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000967952103 1215267234 /nfs/dbraw/zinc/26/72/34/1215267234.db2.gz ZNKQPTGNAUZOSU-TZMCWYRMSA-N 1 2 365.390 0.074 20 5 FCBDLO Cn1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(F)c2)n1 ZINC001001519144 1216232731 /nfs/dbraw/zinc/23/27/31/1216232731.db2.gz AWOSSUJONSZABY-UKRRQHHQSA-N 1 2 362.365 0.525 20 5 FCBDLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814292 1218319389 /nfs/dbraw/zinc/31/93/89/1218319389.db2.gz CSVZXZCBSUAYCR-XJFOESAGSA-N 1 2 360.418 0.248 20 5 FCBDLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814292 1218319396 /nfs/dbraw/zinc/31/93/96/1218319396.db2.gz CSVZXZCBSUAYCR-XJFOESAGSA-N 1 2 360.418 0.248 20 5 FCBDLO O=C1NCC2(CC[NH+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)O1 ZINC000780156234 1218648928 /nfs/dbraw/zinc/64/89/28/1218648928.db2.gz DCVQWADHLOOQSD-CYBMUJFWSA-N 1 2 374.353 0.801 20 5 FCBDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781637500 1221087211 /nfs/dbraw/zinc/08/72/11/1221087211.db2.gz WJMYZQSHIXABJL-CQSZACIVSA-N 1 2 365.390 0.798 20 5 FCBDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781637500 1221087218 /nfs/dbraw/zinc/08/72/18/1221087218.db2.gz WJMYZQSHIXABJL-CQSZACIVSA-N 1 2 365.390 0.798 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)O[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000782233872 1221136228 /nfs/dbraw/zinc/13/62/28/1221136228.db2.gz LYHSLDUKKMULKH-CYBMUJFWSA-N 1 2 365.386 0.897 20 5 FCBDLO COc1ccc(CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001117054488 1221448193 /nfs/dbraw/zinc/44/81/93/1221448193.db2.gz RJWSVBQSXLUALW-NSHDSACASA-N 1 2 361.358 0.621 20 5 FCBDLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000830135406 1222465402 /nfs/dbraw/zinc/46/54/02/1222465402.db2.gz CLICFTROSAZBBS-UHFFFAOYSA-N 1 2 363.418 0.311 20 5 FCBDLO CC(=O)NCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000830135406 1222465405 /nfs/dbraw/zinc/46/54/05/1222465405.db2.gz CLICFTROSAZBBS-UHFFFAOYSA-N 1 2 363.418 0.311 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2ncc(C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC001163411124 1223229870 /nfs/dbraw/zinc/22/98/70/1223229870.db2.gz CYMRRGMSFNYVBP-NSHDSACASA-N 1 2 363.330 0.395 20 5 FCBDLO CC(C)c1[nH+]ccn1CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000946777804 1248011622 /nfs/dbraw/zinc/01/16/22/1248011622.db2.gz DBQULRDNCBLNPJ-ZIAGYGMSSA-N 1 2 363.418 0.779 20 5 FCBDLO COC(=O)CN(C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001253685582 1259852331 /nfs/dbraw/zinc/85/23/31/1259852331.db2.gz LGGVITGDSSDBIM-UHFFFAOYSA-N 1 2 361.358 0.615 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001257358916 1260011699 /nfs/dbraw/zinc/01/16/99/1260011699.db2.gz NYCOEIRNYWAGQV-UHFFFAOYSA-N 1 2 364.402 0.044 20 5 FCBDLO Cn1nccc1[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001304013742 1263125223 /nfs/dbraw/zinc/12/52/23/1263125223.db2.gz LJCTUURTRNVCSV-OAHLLOKOSA-N 1 2 356.342 0.977 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001318765123 1263607198 /nfs/dbraw/zinc/60/71/98/1263607198.db2.gz DKBRQTQNBURTDL-CQSZACIVSA-N 1 2 363.418 0.853 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001318765123 1263607202 /nfs/dbraw/zinc/60/72/02/1263607202.db2.gz DKBRQTQNBURTDL-CQSZACIVSA-N 1 2 363.418 0.853 20 5 FCBDLO NC(=O)COC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC001319046927 1263645669 /nfs/dbraw/zinc/64/56/69/1263645669.db2.gz RWZNPRLEWKFONA-UHFFFAOYSA-N 1 2 360.374 0.777 20 5 FCBDLO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001339173098 1268180697 /nfs/dbraw/zinc/18/06/97/1268180697.db2.gz OBXZNGIBUSPGAT-NSHDSACASA-N 1 2 367.387 0.447 20 5 FCBDLO CN(CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001591104148 1284176082 /nfs/dbraw/zinc/17/60/82/1284176082.db2.gz RKGFIMNZGWZFJX-UHFFFAOYSA-N 1 2 371.361 0.611 20 5 FCBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC001593483235 1286173902 /nfs/dbraw/zinc/17/39/02/1286173902.db2.gz XJGRLQSKMOGVDO-UHFFFAOYSA-N 1 2 355.362 0.820 20 5 FCBDLO C[NH+]1CCN(C2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)CC1 ZINC001604866155 1287803958 /nfs/dbraw/zinc/80/39/58/1287803958.db2.gz ZTKGZMVQCCYHTQ-UHFFFAOYSA-N 1 2 372.433 0.991 20 5 FCBDLO O=C(CCn1cc[nH+]c1)NCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001606539574 1288371306 /nfs/dbraw/zinc/37/13/06/1288371306.db2.gz QZPOOPFPCQJHHI-UHFFFAOYSA-N 1 2 371.361 0.590 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC001609482233 1289176004 /nfs/dbraw/zinc/17/60/04/1289176004.db2.gz PAGZINVMADBILH-UHFFFAOYSA-N 1 2 368.357 0.427 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1[N+](=O)[O-])CC2 ZINC001609482233 1289176007 /nfs/dbraw/zinc/17/60/07/1289176007.db2.gz PAGZINVMADBILH-UHFFFAOYSA-N 1 2 368.357 0.427 20 5 FCBDLO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001607086443 1288653911 /nfs/dbraw/zinc/65/39/11/1288653911.db2.gz XNQXFSALVOXCJX-ONGXEEELSA-N 1 2 365.419 0.872 20 5 FCBDLO Cn1c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001699255888 1289548099 /nfs/dbraw/zinc/54/80/99/1289548099.db2.gz UXFLOHMXNDXQGB-XEVLESSRSA-N 1 2 370.413 0.909 20 5 FCBDLO CCOc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001086084398 842119152 /nfs/dbraw/zinc/11/91/52/842119152.db2.gz PDUKYSVGZMTQMP-LMLFDSFASA-N 1 2 355.420 0.586 20 5 FCBDLO CC(C)Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC001086364106 842127583 /nfs/dbraw/zinc/12/75/83/842127583.db2.gz UGDURSYXMDTZQT-FDYHWXHSSA-N 1 2 351.407 0.918 20 5 FCBDLO O=C(NCc1cn(C2C[NH+](CCCCCF)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001107168276 845332892 /nfs/dbraw/zinc/33/28/92/845332892.db2.gz TXABHFFIZKPTIP-ZIAGYGMSSA-N 1 2 354.386 0.556 20 5 FCBDLO CN(C)C(=O)OCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001117989312 847244692 /nfs/dbraw/zinc/24/46/92/847244692.db2.gz GLILZJXGYICYJQ-UHFFFAOYSA-N 1 2 374.419 0.503 20 5 FCBDLO CN(C)C(=O)OCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001117989312 847244706 /nfs/dbraw/zinc/24/47/06/847244706.db2.gz GLILZJXGYICYJQ-UHFFFAOYSA-N 1 2 374.419 0.503 20 5 FCBDLO CCOC(=O)c1nc(Cl)nc(NC[C@@H]([NH3+])C(=O)OCC)c1[N+](=O)[O-] ZINC001161945075 850291251 /nfs/dbraw/zinc/29/12/51/850291251.db2.gz DBLHCZFDIYRLNW-ZCFIWIBFSA-N 1 2 361.742 0.517 20 5 FCBDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001303550203 866433327 /nfs/dbraw/zinc/43/33/27/866433327.db2.gz IXJRLBWGYUTTFI-UHFFFAOYSA-N 1 2 358.786 0.207 20 5 FCBDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001303550203 866433336 /nfs/dbraw/zinc/43/33/36/866433336.db2.gz IXJRLBWGYUTTFI-UHFFFAOYSA-N 1 2 358.786 0.207 20 5 FCBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001318971569 867792149 /nfs/dbraw/zinc/79/21/49/867792149.db2.gz YDXDPKFWHGJKGL-ZDUSSCGKSA-N 1 2 352.391 0.402 20 5 FCBDLO C[NH+](C)CCN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001573989275 961803456 /nfs/dbraw/zinc/80/34/56/961803456.db2.gz CRVLFZQCUMWCPC-UHFFFAOYSA-N 1 2 361.358 0.869 20 5 FCBDLO Cn1cc[nH+]c1CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265926610 210250248 /nfs/dbraw/zinc/25/02/48/210250248.db2.gz NMGLJTFFVBNPJU-UHFFFAOYSA-N 1 2 372.385 0.996 20 5 FCBDLO Cc1cc(F)c(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296730312 214361540 /nfs/dbraw/zinc/36/15/40/214361540.db2.gz MMCBIRKSYJTJOV-LLVKDONJSA-N 1 2 356.354 0.857 20 5 FCBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000291186823 214017497 /nfs/dbraw/zinc/01/74/97/214017497.db2.gz SIIMZJSTYSOSTH-DGCLKSJQSA-N 1 2 370.431 0.542 20 5 FCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285550027 213358416 /nfs/dbraw/zinc/35/84/16/213358416.db2.gz MHILMNBGPNSDMK-UHFFFAOYSA-N 1 2 352.395 0.334 20 5 FCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285550027 213358418 /nfs/dbraw/zinc/35/84/18/213358418.db2.gz MHILMNBGPNSDMK-UHFFFAOYSA-N 1 2 352.395 0.334 20 5 FCBDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342198 213326122 /nfs/dbraw/zinc/32/61/22/213326122.db2.gz OWLRZSOLAIMAAQ-GXTWGEPZSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342198 213326126 /nfs/dbraw/zinc/32/61/26/213326126.db2.gz OWLRZSOLAIMAAQ-GXTWGEPZSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342201 213326660 /nfs/dbraw/zinc/32/66/60/213326660.db2.gz OWLRZSOLAIMAAQ-JSGCOSHPSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342201 213326663 /nfs/dbraw/zinc/32/66/63/213326663.db2.gz OWLRZSOLAIMAAQ-JSGCOSHPSA-N 1 2 369.443 0.761 20 5 FCBDLO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363715403 215579078 /nfs/dbraw/zinc/57/90/78/215579078.db2.gz QKSNUBMWQMFUMP-GFCCVEGCSA-N 1 2 356.404 0.153 20 5 FCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000284032234 213059742 /nfs/dbraw/zinc/05/97/42/213059742.db2.gz RVHPBDRNBOKLHA-SNVBAGLBSA-N 1 2 371.357 0.489 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000284032230 213058854 /nfs/dbraw/zinc/05/88/54/213058854.db2.gz RVHPBDRNBOKLHA-JTQLQIEISA-N 1 2 371.357 0.489 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000412435960 237211490 /nfs/dbraw/zinc/21/14/90/237211490.db2.gz NLDANNUJBGGOCY-UHFFFAOYSA-N 1 2 353.375 0.720 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000367733356 216155005 /nfs/dbraw/zinc/15/50/05/216155005.db2.gz HOCJPUKYPCACKW-AAEUAGOBSA-N 1 2 370.431 0.542 20 5 FCBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000193988233 209321576 /nfs/dbraw/zinc/32/15/76/209321576.db2.gz DPEISEAEXIYORX-AWEZNQCLSA-N 1 2 354.363 0.628 20 5 FCBDLO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCOCC1 ZINC000193988233 209321573 /nfs/dbraw/zinc/32/15/73/209321573.db2.gz DPEISEAEXIYORX-AWEZNQCLSA-N 1 2 354.363 0.628 20 5 FCBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000193988233 209321575 /nfs/dbraw/zinc/32/15/75/209321575.db2.gz DPEISEAEXIYORX-AWEZNQCLSA-N 1 2 354.363 0.628 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000368613930 216271017 /nfs/dbraw/zinc/27/10/17/216271017.db2.gz OFABSSJLXUEAFB-GUTXKFCHSA-N 1 2 368.386 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000368613930 216271019 /nfs/dbraw/zinc/27/10/19/216271019.db2.gz OFABSSJLXUEAFB-GUTXKFCHSA-N 1 2 368.386 0.987 20 5 FCBDLO Cc1c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368684528 216280954 /nfs/dbraw/zinc/28/09/54/216280954.db2.gz KZVNPXCNEYJIHU-UHFFFAOYSA-N 1 2 365.346 0.445 20 5 FCBDLO Cc1c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368684528 216280955 /nfs/dbraw/zinc/28/09/55/216280955.db2.gz KZVNPXCNEYJIHU-UHFFFAOYSA-N 1 2 365.346 0.445 20 5 FCBDLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000192145968 209296494 /nfs/dbraw/zinc/29/64/94/209296494.db2.gz OEUQCSSIWXDSAH-ZDUSSCGKSA-N 1 2 357.432 0.899 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000189462424 209250995 /nfs/dbraw/zinc/25/09/95/209250995.db2.gz QKUVTOIDUFOELP-ZDUSSCGKSA-N 1 2 363.330 0.824 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189087693 209245261 /nfs/dbraw/zinc/24/52/61/209245261.db2.gz WLTQRDCRVKSFJW-CHWSQXEVSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000189087693 209245262 /nfs/dbraw/zinc/24/52/62/209245262.db2.gz WLTQRDCRVKSFJW-CHWSQXEVSA-N 1 2 357.432 0.812 20 5 FCBDLO NS(=O)(=O)CC[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276528749 212248385 /nfs/dbraw/zinc/24/83/85/212248385.db2.gz BVVJBKNGYJHMFZ-UHFFFAOYSA-N 1 2 365.415 0.554 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1F ZINC000187966068 209221216 /nfs/dbraw/zinc/22/12/16/209221216.db2.gz LNPKMHRJAGRWAZ-NSHDSACASA-N 1 2 361.395 0.729 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000187964091 209221021 /nfs/dbraw/zinc/22/10/21/209221021.db2.gz PBUYJHDYIHGKLS-NSHDSACASA-N 1 2 361.395 0.729 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184800673 209166424 /nfs/dbraw/zinc/16/64/24/209166424.db2.gz VGXGFTDRRWGILV-CQSZACIVSA-N 1 2 357.432 0.813 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000374800800 217174801 /nfs/dbraw/zinc/17/48/01/217174801.db2.gz QBQSWMGLNUPUKZ-JSGCOSHPSA-N 1 2 373.406 0.954 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183694614 209152104 /nfs/dbraw/zinc/15/21/04/209152104.db2.gz QVUHUVMKABRQAE-UHFFFAOYSA-N 1 2 371.459 0.856 20 5 FCBDLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000441249088 248245243 /nfs/dbraw/zinc/24/52/43/248245243.db2.gz NZCAGCUTRYLIJN-MRXNPFEDSA-N 1 2 365.386 0.804 20 5 FCBDLO COc1cccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000444296519 248354394 /nfs/dbraw/zinc/35/43/94/248354394.db2.gz YOXPREUHPODBKU-INIZCTEOSA-N 1 2 353.375 0.416 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000271312037 211376995 /nfs/dbraw/zinc/37/69/95/211376995.db2.gz IFHAMCSVIOSAEH-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000271312037 211376997 /nfs/dbraw/zinc/37/69/97/211376997.db2.gz IFHAMCSVIOSAEH-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000271382147 211391715 /nfs/dbraw/zinc/39/17/15/211391715.db2.gz TVYAQBBBFVAROJ-CQSZACIVSA-N 1 2 371.415 0.975 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000271382147 211391718 /nfs/dbraw/zinc/39/17/18/211391718.db2.gz TVYAQBBBFVAROJ-CQSZACIVSA-N 1 2 371.415 0.975 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000270981569 211309646 /nfs/dbraw/zinc/30/96/46/211309646.db2.gz LWMDOCBXPNIWGB-ZDUSSCGKSA-N 1 2 374.397 0.908 20 5 FCBDLO COCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000270557528 211223802 /nfs/dbraw/zinc/22/38/02/211223802.db2.gz JETYOJSXEGPKIF-CQSZACIVSA-N 1 2 373.431 0.282 20 5 FCBDLO COCCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000270557528 211223805 /nfs/dbraw/zinc/22/38/05/211223805.db2.gz JETYOJSXEGPKIF-CQSZACIVSA-N 1 2 373.431 0.282 20 5 FCBDLO COc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000472870387 250184386 /nfs/dbraw/zinc/18/43/86/250184386.db2.gz CMMYTLFMJAPEHC-GXTWGEPZSA-N 1 2 351.359 0.767 20 5 FCBDLO COc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000472870387 250184391 /nfs/dbraw/zinc/18/43/91/250184391.db2.gz CMMYTLFMJAPEHC-GXTWGEPZSA-N 1 2 351.359 0.767 20 5 FCBDLO CCc1nn(C)c(N2CC[NH+](CC(=O)N(CC)CC)CC2)c1[N+](=O)[O-] ZINC000092827554 208148733 /nfs/dbraw/zinc/14/87/33/208148733.db2.gz VDUKLUJLXNHCQR-UHFFFAOYSA-N 1 2 352.439 0.881 20 5 FCBDLO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266671121 210378632 /nfs/dbraw/zinc/37/86/32/210378632.db2.gz PBJAVNIFNJLPMS-CYBMUJFWSA-N 1 2 355.395 0.705 20 5 FCBDLO COCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266153144 210293842 /nfs/dbraw/zinc/29/38/42/210293842.db2.gz LEEVVBISSITTNB-UHFFFAOYSA-N 1 2 352.391 0.488 20 5 FCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000178633049 209054806 /nfs/dbraw/zinc/05/48/06/209054806.db2.gz WBJDUWCLGKREEC-OAHLLOKOSA-N 1 2 359.430 0.925 20 5 FCBDLO Cc1c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178784960 209060974 /nfs/dbraw/zinc/06/09/74/209060974.db2.gz MNVUZUKDUWCFDA-HNNXBMFYSA-N 1 2 371.401 0.214 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c([N+](=O)[O-])c1 ZINC000262086488 229298157 /nfs/dbraw/zinc/29/81/57/229298157.db2.gz UHLYOENIDCIVTO-ZDUSSCGKSA-N 1 2 365.415 0.972 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000609428647 484223276 /nfs/dbraw/zinc/22/32/76/484223276.db2.gz ZVFPVNROQZWCFZ-UHFFFAOYSA-N 1 2 363.378 0.349 20 5 FCBDLO CCOC1CC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)([NH+]2CCOCC2)C1 ZINC000278473657 488877395 /nfs/dbraw/zinc/87/73/95/488877395.db2.gz UTXKVINAFHTIRH-UHFFFAOYSA-N 1 2 367.406 0.177 20 5 FCBDLO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000301780101 488883976 /nfs/dbraw/zinc/88/39/76/488883976.db2.gz IMYRXAJYYZBJFB-AWEZNQCLSA-N 1 2 363.418 0.668 20 5 FCBDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000279418679 488940376 /nfs/dbraw/zinc/94/03/76/488940376.db2.gz XVESYFWASRTQGA-BETUJISGSA-N 1 2 352.391 0.324 20 5 FCBDLO C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000279418679 488940379 /nfs/dbraw/zinc/94/03/79/488940379.db2.gz XVESYFWASRTQGA-BETUJISGSA-N 1 2 352.391 0.324 20 5 FCBDLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000025914054 487673719 /nfs/dbraw/zinc/67/37/19/487673719.db2.gz MEMRJNFZBUWNOJ-UHFFFAOYSA-N 1 2 356.404 0.037 20 5 FCBDLO CC(C)C[N@H+](CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026126767 487677287 /nfs/dbraw/zinc/67/72/87/487677287.db2.gz QGTPNOZRGUELCX-UHFFFAOYSA-N 1 2 352.347 0.705 20 5 FCBDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026126767 487677290 /nfs/dbraw/zinc/67/72/90/487677290.db2.gz QGTPNOZRGUELCX-UHFFFAOYSA-N 1 2 352.347 0.705 20 5 FCBDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 ZINC000026489048 487683258 /nfs/dbraw/zinc/68/32/58/487683258.db2.gz LVWKQAJPKZOBPP-ZIAGYGMSSA-N 1 2 363.418 0.748 20 5 FCBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029529915 487726363 /nfs/dbraw/zinc/72/63/63/487726363.db2.gz FPBYZZIEOIJGNO-ZDUSSCGKSA-N 1 2 350.423 0.851 20 5 FCBDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000031931905 487767259 /nfs/dbraw/zinc/76/72/59/487767259.db2.gz NGWUXAAAKNYATI-HNNXBMFYSA-N 1 2 368.415 0.221 20 5 FCBDLO COC(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000047151111 488016176 /nfs/dbraw/zinc/01/61/76/488016176.db2.gz KXTYZXTWICQNSR-LLVKDONJSA-N 1 2 351.359 0.832 20 5 FCBDLO CC(C)(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000048757583 488081343 /nfs/dbraw/zinc/08/13/43/488081343.db2.gz OBANVXFSISGRDY-UHFFFAOYSA-N 1 2 350.375 0.760 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000065772722 488321417 /nfs/dbraw/zinc/32/14/17/488321417.db2.gz LTJRWEDEMWDATK-UHFFFAOYSA-N 1 2 360.374 0.729 20 5 FCBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000073117863 488383973 /nfs/dbraw/zinc/38/39/73/488383973.db2.gz SUWSLNJDNXZMAP-LLVKDONJSA-N 1 2 352.420 0.817 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074747934 488393778 /nfs/dbraw/zinc/39/37/78/488393778.db2.gz ODSOAISMRMRODU-CQSZACIVSA-N 1 2 365.434 0.961 20 5 FCBDLO CCN(CC)C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588649 488397274 /nfs/dbraw/zinc/39/72/74/488397274.db2.gz VKEMTKOZULKDRH-AWEZNQCLSA-N 1 2 354.411 0.232 20 5 FCBDLO CCOC(=O)c1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268231602 488399095 /nfs/dbraw/zinc/39/90/95/488399095.db2.gz VGIPOAMWBDJDCG-CQSZACIVSA-N 1 2 367.402 0.901 20 5 FCBDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000088757852 488456749 /nfs/dbraw/zinc/45/67/49/488456749.db2.gz MVBFURIMPOGUTE-CYBMUJFWSA-N 1 2 350.423 0.770 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248641031 488499514 /nfs/dbraw/zinc/49/95/14/488499514.db2.gz CGOQSUJQIOOGGK-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248641031 488499516 /nfs/dbraw/zinc/49/95/16/488499516.db2.gz CGOQSUJQIOOGGK-STQMWFEESA-N 1 2 357.432 0.812 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249188239 488507752 /nfs/dbraw/zinc/50/77/52/488507752.db2.gz OPBPVAXWPQLPPU-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249188239 488507753 /nfs/dbraw/zinc/50/77/53/488507753.db2.gz OPBPVAXWPQLPPU-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000129919924 488634454 /nfs/dbraw/zinc/63/44/54/488634454.db2.gz SRFLIRVZKXWMPT-UHFFFAOYSA-N 1 2 359.390 0.125 20 5 FCBDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000130412764 488637289 /nfs/dbraw/zinc/63/72/89/488637289.db2.gz NLRNKIQAFCBFEA-AWEZNQCLSA-N 1 2 350.423 0.420 20 5 FCBDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000130412764 488637290 /nfs/dbraw/zinc/63/72/90/488637290.db2.gz NLRNKIQAFCBFEA-AWEZNQCLSA-N 1 2 350.423 0.420 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000273292740 488642253 /nfs/dbraw/zinc/64/22/53/488642253.db2.gz FWDSRGUHEQDAKD-AWEZNQCLSA-N 1 2 358.416 0.842 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000273292740 488642255 /nfs/dbraw/zinc/64/22/55/488642255.db2.gz FWDSRGUHEQDAKD-AWEZNQCLSA-N 1 2 358.416 0.842 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273364162 488646294 /nfs/dbraw/zinc/64/62/94/488646294.db2.gz FTUBYXCZYZWBEB-LBPRGKRZSA-N 1 2 356.354 0.891 20 5 FCBDLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131743856 488648134 /nfs/dbraw/zinc/64/81/34/488648134.db2.gz FJYUIYCYVVXOCB-JTQLQIEISA-N 1 2 364.387 0.582 20 5 FCBDLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131743856 488648137 /nfs/dbraw/zinc/64/81/37/488648137.db2.gz FJYUIYCYVVXOCB-JTQLQIEISA-N 1 2 364.387 0.582 20 5 FCBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000132086782 488650554 /nfs/dbraw/zinc/65/05/54/488650554.db2.gz OZLWNWTWOLRCCO-UHFFFAOYSA-N 1 2 362.839 0.654 20 5 FCBDLO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000264467004 488676866 /nfs/dbraw/zinc/67/68/66/488676866.db2.gz FQXGMGUVXBDLBZ-LBPRGKRZSA-N 1 2 371.415 0.449 20 5 FCBDLO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000264467004 488676869 /nfs/dbraw/zinc/67/68/69/488676869.db2.gz FQXGMGUVXBDLBZ-LBPRGKRZSA-N 1 2 371.415 0.449 20 5 FCBDLO 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ZINC000274692241 488727556 /nfs/dbraw/zinc/72/75/56/488727556.db2.gz NBGKPALSWIPOSP-GFCCVEGCSA-N 1 2 371.415 0.491 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274719485 488729585 /nfs/dbraw/zinc/72/95/85/488729585.db2.gz DCAUROPLPWOVBB-UHFFFAOYSA-N 1 2 350.375 0.583 20 5 FCBDLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266816640 488733488 /nfs/dbraw/zinc/73/34/88/488733488.db2.gz IMRIGSHGQFHZTN-VIFPVBQESA-N 1 2 367.387 0.566 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274894135 488741317 /nfs/dbraw/zinc/74/13/17/488741317.db2.gz MUOKEQDUQTVMTA-UHFFFAOYSA-N 1 2 365.390 0.322 20 5 FCBDLO Cc1c(C(=O)N2CC[NH+](CCO)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000154942332 488748848 /nfs/dbraw/zinc/74/88/48/488748848.db2.gz FJAULQYIHBYMIE-UHFFFAOYSA-N 1 2 352.347 0.870 20 5 FCBDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267000575 488751606 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489370603 /nfs/dbraw/zinc/37/06/03/489370603.db2.gz VUICBEAZYSJCHQ-OCCSQVGLSA-N 1 2 355.416 0.815 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000361982198 489370873 /nfs/dbraw/zinc/37/08/73/489370873.db2.gz RFMWFFCQAOBQOS-CABCVRRESA-N 1 2 355.416 0.815 20 5 FCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298863475 489375432 /nfs/dbraw/zinc/37/54/32/489375432.db2.gz SYKDJIFVBUWSGC-UHFFFAOYSA-N 1 2 356.346 0.562 20 5 FCBDLO C[C@@H](O)CNc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000298869302 489376106 /nfs/dbraw/zinc/37/61/06/489376106.db2.gz KBIOEHNPBURTHT-GFCCVEGCSA-N 1 2 359.390 0.899 20 5 FCBDLO C[C@@H](O)CNc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)[nH+]cn1 ZINC000298869302 489376109 /nfs/dbraw/zinc/37/61/09/489376109.db2.gz KBIOEHNPBURTHT-GFCCVEGCSA-N 1 2 359.390 0.899 20 5 FCBDLO COCCN1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC000451515581 489507932 /nfs/dbraw/zinc/50/79/32/489507932.db2.gz DDEWAKUIFFVKAE-UHFFFAOYSA-N 1 2 359.342 0.669 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451895723 489529619 /nfs/dbraw/zinc/52/96/19/489529619.db2.gz YLIAIJNNQQLJOI-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451895723 489529623 /nfs/dbraw/zinc/52/96/23/489529623.db2.gz YLIAIJNNQQLJOI-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148316 489551708 /nfs/dbraw/zinc/55/17/08/489551708.db2.gz FHJVHNXXDYDPNN-KGLIPLIRSA-N 1 2 368.415 0.324 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000372148316 489551710 /nfs/dbraw/zinc/55/17/10/489551710.db2.gz FHJVHNXXDYDPNN-KGLIPLIRSA-N 1 2 368.415 0.324 20 5 FCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216506 489610039 /nfs/dbraw/zinc/61/00/39/489610039.db2.gz NWLIZIVGXODKBD-GASCZTMLSA-N 1 2 362.386 0.304 20 5 FCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216506 489610041 /nfs/dbraw/zinc/61/00/41/489610041.db2.gz NWLIZIVGXODKBD-GASCZTMLSA-N 1 2 362.386 0.304 20 5 FCBDLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000456216643 489610499 /nfs/dbraw/zinc/61/04/99/489610499.db2.gz OIXPSMIMJYIHNX-OKILXGFUSA-N 1 2 372.385 0.769 20 5 FCBDLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000456216643 489610502 /nfs/dbraw/zinc/61/05/02/489610502.db2.gz OIXPSMIMJYIHNX-OKILXGFUSA-N 1 2 372.385 0.769 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416588182 489614609 /nfs/dbraw/zinc/61/46/09/489614609.db2.gz QNYVGQYYRMTQJA-LLVKDONJSA-N 1 2 357.388 0.320 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000416588182 489614610 /nfs/dbraw/zinc/61/46/10/489614610.db2.gz QNYVGQYYRMTQJA-LLVKDONJSA-N 1 2 357.388 0.320 20 5 FCBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[NH+]1CCOCC1 ZINC000427932898 489630082 /nfs/dbraw/zinc/63/00/82/489630082.db2.gz ZDNQMVGDEQODEG-UHFFFAOYSA-N 1 2 360.370 0.970 20 5 FCBDLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372932166 489653188 /nfs/dbraw/zinc/65/31/88/489653188.db2.gz WHQFFQSCIFOSTB-LBPRGKRZSA-N 1 2 370.431 0.414 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418125482 489678867 /nfs/dbraw/zinc/67/88/67/489678867.db2.gz NRNFFPJYCTXWKC-LBPRGKRZSA-N 1 2 351.359 0.857 20 5 FCBDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418125482 489678870 /nfs/dbraw/zinc/67/88/70/489678870.db2.gz NRNFFPJYCTXWKC-LBPRGKRZSA-N 1 2 351.359 0.857 20 5 FCBDLO Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000429878826 489706766 /nfs/dbraw/zinc/70/67/66/489706766.db2.gz UWDFBKYDXSWDOC-UHFFFAOYSA-N 1 2 357.334 0.726 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000459555114 489739179 /nfs/dbraw/zinc/73/91/79/489739179.db2.gz BHPGYAPBCQVUGF-AAEUAGOBSA-N 1 2 365.342 0.501 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000459555114 489739183 /nfs/dbraw/zinc/73/91/83/489739183.db2.gz BHPGYAPBCQVUGF-AAEUAGOBSA-N 1 2 365.342 0.501 20 5 FCBDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537438 489750690 /nfs/dbraw/zinc/75/06/90/489750690.db2.gz CACWVWCKSLSFSE-ZIAGYGMSSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537438 489750694 /nfs/dbraw/zinc/75/06/94/489750694.db2.gz CACWVWCKSLSFSE-ZIAGYGMSSA-N 1 2 354.359 0.598 20 5 FCBDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000376871932 489808249 /nfs/dbraw/zinc/80/82/49/489808249.db2.gz TWUDKGGFCLCCPV-UHFFFAOYSA-N 1 2 361.362 0.584 20 5 FCBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000492891512 489839224 /nfs/dbraw/zinc/83/92/24/489839224.db2.gz KAPSIMSBIAIRRK-GFCCVEGCSA-N 1 2 350.331 0.218 20 5 FCBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000492891512 489839228 /nfs/dbraw/zinc/83/92/28/489839228.db2.gz KAPSIMSBIAIRRK-GFCCVEGCSA-N 1 2 350.331 0.218 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000475707491 489844085 /nfs/dbraw/zinc/84/40/85/489844085.db2.gz CQXUFWRGCFEPPM-UHFFFAOYSA-N 1 2 366.374 0.733 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000475707491 489844087 /nfs/dbraw/zinc/84/40/87/489844087.db2.gz CQXUFWRGCFEPPM-UHFFFAOYSA-N 1 2 366.374 0.733 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476085912 489867290 /nfs/dbraw/zinc/86/72/90/489867290.db2.gz NDEDJPPBYJWFCU-CQSZACIVSA-N 1 2 359.386 0.959 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476085912 489867294 /nfs/dbraw/zinc/86/72/94/489867294.db2.gz NDEDJPPBYJWFCU-CQSZACIVSA-N 1 2 359.386 0.959 20 5 FCBDLO O=C(CCc1c[nH+]c[nH]1)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000571095425 491285864 /nfs/dbraw/zinc/28/58/64/491285864.db2.gz IWGGIDLPONJGLJ-UHFFFAOYSA-N 1 2 355.358 1.422 20 5 FCBDLO O=C(CCc1c[nH]c[nH+]1)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000571095425 491285865 /nfs/dbraw/zinc/28/58/65/491285865.db2.gz IWGGIDLPONJGLJ-UHFFFAOYSA-N 1 2 355.358 1.422 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N2CCn3c[nH+]cc3C2)cc([N+](=O)[O-])c1 ZINC000461188868 489898047 /nfs/dbraw/zinc/89/80/47/489898047.db2.gz GZOZBHVWQXBCSY-UHFFFAOYSA-N 1 2 350.356 0.851 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494720933 489908675 /nfs/dbraw/zinc/90/86/75/489908675.db2.gz QTZGACFGLYUGPD-BXUZGUMPSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494720933 489908679 /nfs/dbraw/zinc/90/86/79/489908679.db2.gz QTZGACFGLYUGPD-BXUZGUMPSA-N 1 2 370.431 0.935 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477117852 489945198 /nfs/dbraw/zinc/94/51/98/489945198.db2.gz XHNBXIWNDNAMJY-LBPRGKRZSA-N 1 2 372.447 0.978 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000477117852 489945202 /nfs/dbraw/zinc/94/52/02/489945202.db2.gz XHNBXIWNDNAMJY-LBPRGKRZSA-N 1 2 372.447 0.978 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000421006179 490041817 /nfs/dbraw/zinc/04/18/17/490041817.db2.gz GVZPMOAZWOWSAY-CQSZACIVSA-N 1 2 370.431 0.474 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCNC1=O ZINC000421006179 490041820 /nfs/dbraw/zinc/04/18/20/490041820.db2.gz GVZPMOAZWOWSAY-CQSZACIVSA-N 1 2 370.431 0.474 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000479024596 490062804 /nfs/dbraw/zinc/06/28/04/490062804.db2.gz OXUFEPHQTZQTQK-LBPRGKRZSA-N 1 2 353.379 0.190 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000479024596 490062810 /nfs/dbraw/zinc/06/28/10/490062810.db2.gz OXUFEPHQTZQTQK-LBPRGKRZSA-N 1 2 353.379 0.190 20 5 FCBDLO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000378599797 490109090 /nfs/dbraw/zinc/10/90/90/490109090.db2.gz PJVCGFFLWXUWBF-MRXNPFEDSA-N 1 2 369.443 0.874 20 5 FCBDLO CCn1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])n1 ZINC000532859452 490130778 /nfs/dbraw/zinc/13/07/78/490130778.db2.gz QSLFXTMVLIHYMI-UHFFFAOYSA-N 1 2 368.419 0.865 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])n1 ZINC000532858884 490131066 /nfs/dbraw/zinc/13/10/66/490131066.db2.gz QHZYRXFMSHLGDG-GFCCVEGCSA-N 1 2 373.435 0.154 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000532871823 490135063 /nfs/dbraw/zinc/13/50/63/490135063.db2.gz LKVKCGQOGSXLRR-LLVKDONJSA-N 1 2 365.371 0.284 20 5 FCBDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000482854999 490257734 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LMNHZZVNDMSLOE-LBPRGKRZSA-N 1 2 367.406 0.444 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000483987689 490366430 /nfs/dbraw/zinc/36/64/30/490366430.db2.gz ZKDPTURJNUSGKF-UHFFFAOYSA-N 1 2 373.369 0.957 20 5 FCBDLO CN(Cc1[nH+]ccn1C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000522714407 490396652 /nfs/dbraw/zinc/39/66/52/490396652.db2.gz QKTFYEHTPVBOFS-UHFFFAOYSA-N 1 2 360.374 0.786 20 5 FCBDLO C[C@H](CO)[N@@H+]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000468743915 490443169 /nfs/dbraw/zinc/44/31/69/490443169.db2.gz OECATCHZYVBOMP-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@H](CO)[N@H+]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000468743915 490443176 /nfs/dbraw/zinc/44/31/76/490443176.db2.gz OECATCHZYVBOMP-GFCCVEGCSA-N 1 2 357.432 0.891 20 5 FCBDLO Cc1c[nH+]ccc1NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000468830752 490454074 /nfs/dbraw/zinc/45/40/74/490454074.db2.gz CRZMTAQKTOIVKS-UHFFFAOYSA-N 1 2 350.356 0.928 20 5 FCBDLO 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O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N(CCO)CC[NH+]1CCOCC1 ZINC000611136421 492279068 /nfs/dbraw/zinc/27/90/68/492279068.db2.gz NDVXXDFSSMLSGF-UHFFFAOYSA-N 1 2 362.386 0.843 20 5 FCBDLO CNc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000611136769 492279239 /nfs/dbraw/zinc/27/92/39/492279239.db2.gz LDHBCNJFQHLSEE-UHFFFAOYSA-N 1 2 352.391 0.403 20 5 FCBDLO COc1cc(CN2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000611253072 492283089 /nfs/dbraw/zinc/28/30/89/492283089.db2.gz JKYKBBZDKYCURW-UHFFFAOYSA-N 1 2 366.418 0.818 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611274477 492283635 /nfs/dbraw/zinc/28/36/35/492283635.db2.gz WNPTUTYZBZSALB-UHFFFAOYSA-N 1 2 364.402 0.748 20 5 FCBDLO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556672 492290259 /nfs/dbraw/zinc/29/02/59/492290259.db2.gz JJWMHJSEDUVOHE-AWEZNQCLSA-N 1 2 364.402 0.437 20 5 FCBDLO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556672 492290260 /nfs/dbraw/zinc/29/02/60/492290260.db2.gz JJWMHJSEDUVOHE-AWEZNQCLSA-N 1 2 364.402 0.437 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000551443853 546535625 /nfs/dbraw/zinc/53/56/25/546535625.db2.gz XQQYJZVKHUUBNZ-UHFFFAOYSA-N 1 2 352.391 0.676 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000551443853 546535629 /nfs/dbraw/zinc/53/56/29/546535629.db2.gz XQQYJZVKHUUBNZ-UHFFFAOYSA-N 1 2 352.391 0.676 20 5 FCBDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000593081579 546920397 /nfs/dbraw/zinc/92/03/97/546920397.db2.gz NVPAXCSYPBDGHN-WHOFXGATSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000593081579 546920403 /nfs/dbraw/zinc/92/04/03/546920403.db2.gz NVPAXCSYPBDGHN-WHOFXGATSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592200366 546946337 /nfs/dbraw/zinc/94/63/37/546946337.db2.gz WANPNFIQURPSTQ-WDMOLILDSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592200366 546946340 /nfs/dbraw/zinc/94/63/40/546946340.db2.gz WANPNFIQURPSTQ-WDMOLILDSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593086367 546963571 /nfs/dbraw/zinc/96/35/71/546963571.db2.gz JJYWSOADMMBIPI-ZOWXZIJZSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000593086367 546963575 /nfs/dbraw/zinc/96/35/75/546963575.db2.gz JJYWSOADMMBIPI-ZOWXZIJZSA-N 1 2 354.359 0.597 20 5 FCBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593649905 546985970 /nfs/dbraw/zinc/98/59/70/546985970.db2.gz MKOCVSOXARVFCS-LLVKDONJSA-N 1 2 361.807 0.688 20 5 FCBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593649905 546985972 /nfs/dbraw/zinc/98/59/72/546985972.db2.gz MKOCVSOXARVFCS-LLVKDONJSA-N 1 2 361.807 0.688 20 5 FCBDLO CCc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593653215 546987274 /nfs/dbraw/zinc/98/72/74/546987274.db2.gz WKKCGPRTRWMKAF-CYBMUJFWSA-N 1 2 355.416 0.597 20 5 FCBDLO CCc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593653215 546987276 /nfs/dbraw/zinc/98/72/76/546987276.db2.gz WKKCGPRTRWMKAF-CYBMUJFWSA-N 1 2 355.416 0.597 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000593885848 546993928 /nfs/dbraw/zinc/99/39/28/546993928.db2.gz CFOZVIHETAENTM-UHFFFAOYSA-N 1 2 354.363 0.116 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000593886324 546994152 /nfs/dbraw/zinc/99/41/52/546994152.db2.gz JABOMXPFRRDTNE-UHFFFAOYSA-N 1 2 352.391 0.598 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000594577443 547001341 /nfs/dbraw/zinc/00/13/41/547001341.db2.gz QLDSDYJCLUSLAY-GFCCVEGCSA-N 1 2 350.379 0.866 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000826498838 607480373 /nfs/dbraw/zinc/48/03/73/607480373.db2.gz LRIVGVHRFZAIMD-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO C[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826033357 608299280 /nfs/dbraw/zinc/29/92/80/608299280.db2.gz AXJCTHUHGCFJBT-UHFFFAOYSA-N 1 2 367.391 0.101 20 5 FCBDLO C[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826033357 608299282 /nfs/dbraw/zinc/29/92/82/608299282.db2.gz AXJCTHUHGCFJBT-UHFFFAOYSA-N 1 2 367.391 0.101 20 5 FCBDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCC1 ZINC001025775398 664189318 /nfs/dbraw/zinc/18/93/18/664189318.db2.gz VXISGJJTRCNOFO-SSZWKKLZSA-N 1 2 350.419 0.147 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCC1 ZINC001025775398 664189321 /nfs/dbraw/zinc/18/93/21/664189321.db2.gz VXISGJJTRCNOFO-SSZWKKLZSA-N 1 2 350.419 0.147 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983658659 664980473 /nfs/dbraw/zinc/98/04/73/664980473.db2.gz ZIARUGMXHPXYFJ-DDHJBXDOSA-N 1 2 351.411 0.078 20 5 FCBDLO Cn1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000731647938 666830623 /nfs/dbraw/zinc/83/06/23/666830623.db2.gz HDRMBGAZTBJWRH-UHFFFAOYSA-N 1 2 358.420 0.172 20 5 FCBDLO CC1CCN(C(=O)C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001002782122 667561559 /nfs/dbraw/zinc/56/15/59/667561559.db2.gz IDOXRQNNVCRQHV-HUUCEWRRSA-N 1 2 352.435 0.491 20 5 FCBDLO Cn1c[nH+]cc1COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000771616198 668262534 /nfs/dbraw/zinc/26/25/34/668262534.db2.gz LMKMXJINVRJFHP-UHFFFAOYSA-N 1 2 368.371 0.740 20 5 FCBDLO CC(C)NC(=O)CN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579809 668273939 /nfs/dbraw/zinc/27/39/39/668273939.db2.gz RBSBHGJFXPSZAU-INIZCTEOSA-N 1 2 350.419 0.770 20 5 FCBDLO CCS(=O)(=O)NCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785679782 668725587 /nfs/dbraw/zinc/72/55/87/668725587.db2.gz YFOVGNISIVBTQW-UHFFFAOYSA-N 1 2 368.371 0.877 20 5 FCBDLO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793592663 668934999 /nfs/dbraw/zinc/93/49/99/668934999.db2.gz UFZFZHUCFQWBMG-CYBMUJFWSA-N 1 2 353.404 0.868 20 5 FCBDLO C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793592663 668935002 /nfs/dbraw/zinc/93/50/02/668935002.db2.gz UFZFZHUCFQWBMG-CYBMUJFWSA-N 1 2 353.404 0.868 20 5 FCBDLO CC(C)n1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001001401129 676071209 /nfs/dbraw/zinc/07/12/09/676071209.db2.gz ZEGQOANEWKSHHX-HUUCEWRRSA-N 1 2 350.423 0.852 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775287 1182830885 /nfs/dbraw/zinc/83/08/85/1182830885.db2.gz LTVAEWWJHSGQJP-DIACKHNESA-N 1 2 359.342 0.541 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccoc4)no3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775287 1182830888 /nfs/dbraw/zinc/83/08/88/1182830888.db2.gz LTVAEWWJHSGQJP-DIACKHNESA-N 1 2 359.342 0.541 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000980005866 1186161588 /nfs/dbraw/zinc/16/15/88/1186161588.db2.gz SJUPHEHJJAUHAJ-BGOOENEXSA-N 1 2 365.390 0.026 20 5 FCBDLO CCc1nnc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)o1 ZINC000982278513 1186694734 /nfs/dbraw/zinc/69/47/34/1186694734.db2.gz HAKXFVCHROFLTA-SKNMWMDOSA-N 1 2 363.418 0.968 20 5 FCBDLO CCc1nnc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)o1 ZINC000982278513 1186694736 /nfs/dbraw/zinc/69/47/36/1186694736.db2.gz HAKXFVCHROFLTA-SKNMWMDOSA-N 1 2 363.418 0.968 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(N2CCOCC2)C1 ZINC000911628861 1196305305 /nfs/dbraw/zinc/30/53/05/1196305305.db2.gz MNLUQKSFLKXNIT-UHFFFAOYSA-N 1 2 357.370 0.937 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000593670387 1196646442 /nfs/dbraw/zinc/64/64/42/1196646442.db2.gz NTONHKQYRLXWEE-UHFFFAOYSA-N 1 2 355.358 1.422 20 5 FCBDLO CN1C[C@@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1=O ZINC000593993310 1196845791 /nfs/dbraw/zinc/84/57/91/1196845791.db2.gz XFDMAEAWUUBYRL-JTQLQIEISA-N 1 2 364.358 0.815 20 5 FCBDLO CN1C[C@@H]([N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1=O ZINC000593993310 1196845792 /nfs/dbraw/zinc/84/57/92/1196845792.db2.gz XFDMAEAWUUBYRL-JTQLQIEISA-N 1 2 364.358 0.815 20 5 FCBDLO Cc1nc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)o1 ZINC001098366256 1197721484 /nfs/dbraw/zinc/72/14/84/1197721484.db2.gz YNXJQORSSJASJO-GDBMZVCRSA-N 1 2 366.418 0.742 20 5 FCBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2nnc(-c3ccco3)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363260 1198327903 /nfs/dbraw/zinc/32/79/03/1198327903.db2.gz KCRRMXWNOBKWKW-DDHJBXDOSA-N 1 2 361.358 0.979 20 5 FCBDLO O=C(NC[C@H]1C[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086364144 1198329517 /nfs/dbraw/zinc/32/95/17/1198329517.db2.gz VKPWNPNIIUCXDI-OJAKKHQRSA-N 1 2 361.358 0.979 20 5 FCBDLO Cc1ncccc1C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001093318929 1206075252 /nfs/dbraw/zinc/07/52/52/1206075252.db2.gz RWHBLNWPKDJCOA-HZPDHXFCSA-N 1 2 371.401 0.320 20 5 FCBDLO C[C@H]1C[N@H+](CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800118745 1210711403 /nfs/dbraw/zinc/71/14/03/1210711403.db2.gz IJISMBPBOLXLAI-NSHDSACASA-N 1 2 365.342 0.767 20 5 FCBDLO C[C@H]1C[N@@H+](CCOC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000800118745 1210711405 /nfs/dbraw/zinc/71/14/05/1210711405.db2.gz IJISMBPBOLXLAI-NSHDSACASA-N 1 2 365.342 0.767 20 5 FCBDLO COCc1noc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)n1 ZINC001050517659 1216328372 /nfs/dbraw/zinc/32/83/72/1216328372.db2.gz ZRNGYMMNRPASJD-VXGBXAGGSA-N 1 2 365.390 0.306 20 5 FCBDLO CC(C)n1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)nn1 ZINC001050516494 1216328889 /nfs/dbraw/zinc/32/88/89/1216328889.db2.gz DCURGEYJTGKBGS-HUUCEWRRSA-N 1 2 362.434 0.949 20 5 FCBDLO CCC1(NC(=O)Cn2cc[nH+]c2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069368572 1216786870 /nfs/dbraw/zinc/78/68/70/1216786870.db2.gz XQNUCOHMMMBSKE-ZIAGYGMSSA-N 1 2 363.418 0.744 20 5 FCBDLO CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001069387506 1216786929 /nfs/dbraw/zinc/78/69/29/1216786929.db2.gz SBKDZZNLPKMGCN-ZIAGYGMSSA-N 1 2 363.418 0.744 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3nc(C4CCC4)no3)C[C@@H]2C1 ZINC001048812396 1218318116 /nfs/dbraw/zinc/31/81/16/1218318116.db2.gz IDTGZUNTBACMHY-XJFOESAGSA-N 1 2 361.402 0.893 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3nc(C4CCC4)no3)C[C@@H]2C1 ZINC001048812396 1218318122 /nfs/dbraw/zinc/31/81/22/1218318122.db2.gz IDTGZUNTBACMHY-XJFOESAGSA-N 1 2 361.402 0.893 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048814667 1218319234 /nfs/dbraw/zinc/31/92/34/1218319234.db2.gz WSYDCCWFJTXNRT-XJFOESAGSA-N 1 2 360.418 0.170 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048814667 1218319241 /nfs/dbraw/zinc/31/92/41/1218319241.db2.gz WSYDCCWFJTXNRT-XJFOESAGSA-N 1 2 360.418 0.170 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)c(N(C)C)[nH+]1 ZINC000750260146 1219892633 /nfs/dbraw/zinc/89/26/33/1219892633.db2.gz BSHJYBXXFOTGIA-UHFFFAOYSA-N 1 2 361.362 0.316 20 5 FCBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000781708743 1221092599 /nfs/dbraw/zinc/09/25/99/1221092599.db2.gz LDIGTXKUKUUCTM-CQSZACIVSA-N 1 2 363.374 0.552 20 5 FCBDLO C[C@H]1NC(=O)N(CCOC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1=O ZINC000837683970 1222654887 /nfs/dbraw/zinc/65/48/87/1222654887.db2.gz XIMPQGDXNGQTFY-SNVBAGLBSA-N 1 2 373.325 0.878 20 5 FCBDLO CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194567 1245394272 /nfs/dbraw/zinc/39/42/72/1245394272.db2.gz SMIMQQRIAIZUIN-VIFPVBQESA-N 1 2 361.314 0.781 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920257513 1245618666 /nfs/dbraw/zinc/61/86/66/1245618666.db2.gz AYUMZXSLVHYGNW-LBPRGKRZSA-N 1 2 364.402 0.742 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944923275 1247684701 /nfs/dbraw/zinc/68/47/01/1247684701.db2.gz RFTKCCNREBHBAG-CHWSQXEVSA-N 1 2 361.402 0.459 20 5 FCBDLO Cc1[nH+]ccn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944941623 1247686549 /nfs/dbraw/zinc/68/65/49/1247686549.db2.gz MQCRICRYLBNMMJ-ZIAGYGMSSA-N 1 2 361.402 0.308 20 5 FCBDLO O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001003360313 1252871981 /nfs/dbraw/zinc/87/19/81/1252871981.db2.gz SQSNZQFPKUMZKC-HZPDHXFCSA-N 1 2 369.381 0.726 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnc(N)c([N+](=O)[O-])c2)n1C ZINC001520049054 1265838199 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/nfs/dbraw/zinc/45/78/97/1283457897.db2.gz LBPROMQGJCHYOM-RKDXNWHRSA-N 1 2 353.408 0.728 20 5 FCBDLO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])c(N)c3-c3nn[nH]n3)C2)CC1 ZINC001591192818 1284311906 /nfs/dbraw/zinc/31/19/06/1284311906.db2.gz JBEWQAZFBJRHAZ-UHFFFAOYSA-N 1 2 373.421 0.041 20 5 FCBDLO Nc1ncc2c(n1)C[N@@H+](Cc1c(-c3nn[nH]n3)cccc1[N+](=O)[O-])CC2 ZINC001592763251 1285684289 /nfs/dbraw/zinc/68/42/89/1285684289.db2.gz VUFLGNOXEKJGSW-UHFFFAOYSA-N 1 2 353.346 0.705 20 5 FCBDLO Nc1ncc2c(n1)C[N@H+](Cc1c(-c3nn[nH]n3)cccc1[N+](=O)[O-])CC2 ZINC001592763251 1285684294 /nfs/dbraw/zinc/68/42/94/1285684294.db2.gz VUFLGNOXEKJGSW-UHFFFAOYSA-N 1 2 353.346 0.705 20 5 FCBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncncc3-c3nn[nH]n3)CC2)c1 ZINC001593483761 1286174960 /nfs/dbraw/zinc/17/49/60/1286174960.db2.gz HJHRMHGASDFPBU-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001605363438 1287941200 /nfs/dbraw/zinc/94/12/00/1287941200.db2.gz USZSRCHLRGKFOM-VWLOTQADSA-N 1 2 365.419 0.275 20 5 FCBDLO O=C(Cn1cc[nH+]c1)NCCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001606620935 1288413794 /nfs/dbraw/zinc/41/37/94/1288413794.db2.gz WIDVFZWACDRSAH-UHFFFAOYSA-N 1 2 371.361 0.590 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccncc3-c3nn[nH]n3)CC2)cn1 ZINC001607081666 1288652636 /nfs/dbraw/zinc/65/26/36/1288652636.db2.gz DRTZWEMADXJNSR-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)c1 ZINC001607086027 1288654257 /nfs/dbraw/zinc/65/42/57/1288654257.db2.gz QVHRIUOKDBQDGC-UHFFFAOYSA-N 1 2 370.377 0.189 20 5 FCBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001164717209 720213833 /nfs/dbraw/zinc/21/38/33/720213833.db2.gz GNGJLNNRJYUKLQ-QGZVFWFLSA-N 1 2 363.418 0.655 20 5 FCBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])ccn3)C2)C1 ZINC001164717209 720213836 /nfs/dbraw/zinc/21/38/36/720213836.db2.gz GNGJLNNRJYUKLQ-QGZVFWFLSA-N 1 2 363.418 0.655 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749969259 836397121 /nfs/dbraw/zinc/39/71/21/836397121.db2.gz UCKFRBLYKLCZBV-LLVKDONJSA-N 1 2 368.419 0.619 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749969259 836397141 /nfs/dbraw/zinc/39/71/41/836397141.db2.gz UCKFRBLYKLCZBV-LLVKDONJSA-N 1 2 368.419 0.619 20 5 FCBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@H]1CO ZINC001151358890 849685238 /nfs/dbraw/zinc/68/52/38/849685238.db2.gz JQMZQUMZKSLKFE-LBPRGKRZSA-N 1 2 355.416 0.428 20 5 FCBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@H]1CO ZINC001151358890 849685239 /nfs/dbraw/zinc/68/52/39/849685239.db2.gz JQMZQUMZKSLKFE-LBPRGKRZSA-N 1 2 355.416 0.428 20 5 FCBDLO O=C(NCCC[NH2+]Cc1noc(C2CCOCC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775248 849992987 /nfs/dbraw/zinc/99/29/87/849992987.db2.gz MSIVOEZQQYIEKI-VXGBXAGGSA-N 1 2 353.379 0.225 20 5 FCBDLO O=C(NCCC[NH2+]Cc1nc(CC(F)(F)F)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774839 849993363 /nfs/dbraw/zinc/99/33/63/849993363.db2.gz COCOWZDENDUVHV-HTQZYQBOSA-N 1 2 351.285 0.436 20 5 FCBDLO O=C1OCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690168 850732925 /nfs/dbraw/zinc/73/29/25/850732925.db2.gz MSJXIVDMEITEBM-LBPRGKRZSA-N 1 2 369.399 0.653 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308060539 866695986 /nfs/dbraw/zinc/69/59/86/866695986.db2.gz VVPKAWQLJMEVMH-NEPJUHHUSA-N 1 2 370.431 0.793 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308060539 866695994 /nfs/dbraw/zinc/69/59/94/866695994.db2.gz VVPKAWQLJMEVMH-NEPJUHHUSA-N 1 2 370.431 0.793 20 5 FCBDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC001320106302 868082831 /nfs/dbraw/zinc/08/28/31/868082831.db2.gz RCRFWSSMPATZLX-WDEREUQCSA-N 1 2 352.366 0.903 20 5 FCBDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC001320106302 868082837 /nfs/dbraw/zinc/08/28/37/868082837.db2.gz RCRFWSSMPATZLX-WDEREUQCSA-N 1 2 352.366 0.903 20 5 FCBDLO CN(CCNS(C)(=O)=O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001327931508 871145395 /nfs/dbraw/zinc/14/53/95/871145395.db2.gz DTGIMRFBSZJXMU-UHFFFAOYSA-N 1 2 367.387 0.402 20 5 FCBDLO C[NH+]1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 ZINC000265519444 210155096 /nfs/dbraw/zinc/15/50/96/210155096.db2.gz KQPNOGUNUGUJNV-UHFFFAOYSA-N 1 2 364.358 0.469 20 5 FCBDLO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265401389 210122640 /nfs/dbraw/zinc/12/26/40/210122640.db2.gz TZUNCLAWQRQFIG-UHFFFAOYSA-N 1 2 358.782 0.881 20 5 FCBDLO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265401389 210122648 /nfs/dbraw/zinc/12/26/48/210122648.db2.gz TZUNCLAWQRQFIG-UHFFFAOYSA-N 1 2 358.782 0.881 20 5 FCBDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000331748573 215041892 /nfs/dbraw/zinc/04/18/92/215041892.db2.gz ZWAMFDCNTHWSQB-AWEZNQCLSA-N 1 2 350.423 0.420 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265060478 210047868 /nfs/dbraw/zinc/04/78/68/210047868.db2.gz SPFKKGSMMNUUOE-VXGBXAGGSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265060478 210047863 /nfs/dbraw/zinc/04/78/63/210047863.db2.gz SPFKKGSMMNUUOE-VXGBXAGGSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1 ZINC000332134420 215099509 /nfs/dbraw/zinc/09/95/09/215099509.db2.gz LPNXBDMNROEILM-TZMCWYRMSA-N 1 2 351.407 0.706 20 5 FCBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284447844 213141640 /nfs/dbraw/zinc/14/16/40/213141640.db2.gz ZUVUOAVXKKPEHX-WCQYABFASA-N 1 2 364.358 0.890 20 5 FCBDLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284447844 213141645 /nfs/dbraw/zinc/14/16/45/213141645.db2.gz ZUVUOAVXKKPEHX-WCQYABFASA-N 1 2 364.358 0.890 20 5 FCBDLO O=C(C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366798316 216034292 /nfs/dbraw/zinc/03/42/92/216034292.db2.gz XSYWCDFVATXQMA-ZFWWWQNUSA-N 1 2 360.370 0.073 20 5 FCBDLO O=C(C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366798316 216034295 /nfs/dbraw/zinc/03/42/95/216034295.db2.gz XSYWCDFVATXQMA-ZFWWWQNUSA-N 1 2 360.370 0.073 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245777401 209374595 /nfs/dbraw/zinc/37/45/95/209374595.db2.gz BETYERHTJURRFR-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245777401 209374598 /nfs/dbraw/zinc/37/45/98/209374598.db2.gz BETYERHTJURRFR-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000190183242 209269526 /nfs/dbraw/zinc/26/95/26/209269526.db2.gz OVEPPPWOJXBVAG-CYBMUJFWSA-N 1 2 357.432 0.899 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189083847 209244298 /nfs/dbraw/zinc/24/42/98/209244298.db2.gz PENVFTJLGBTEAX-ZIAGYGMSSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189083847 209244300 /nfs/dbraw/zinc/24/43/00/209244300.db2.gz PENVFTJLGBTEAX-ZIAGYGMSSA-N 1 2 371.459 0.854 20 5 FCBDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188733278 209236881 /nfs/dbraw/zinc/23/68/81/209236881.db2.gz DZEGARRZCKRFMC-UHFFFAOYSA-N 1 2 356.386 0.926 20 5 FCBDLO COC(=O)c1cnc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000276604964 212264177 /nfs/dbraw/zinc/26/41/77/212264177.db2.gz RQCPWUHKTQUQBO-UHFFFAOYSA-N 1 2 372.341 0.851 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000187968017 209220788 /nfs/dbraw/zinc/22/07/88/209220788.db2.gz MDZDZIUGHIXFIH-LBPRGKRZSA-N 1 2 357.432 0.899 20 5 FCBDLO 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372.447 0.789 20 5 FCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000278935542 488905793 /nfs/dbraw/zinc/90/57/93/488905793.db2.gz VQHXYVKOLFOIQU-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000326320095 488914790 /nfs/dbraw/zinc/91/47/90/488914790.db2.gz VEULQYHPYRQRFR-JTQLQIEISA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000326320095 488914793 /nfs/dbraw/zinc/91/47/93/488914793.db2.gz VEULQYHPYRQRFR-JTQLQIEISA-N 1 2 357.388 0.706 20 5 FCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000279273658 488928520 /nfs/dbraw/zinc/92/85/20/488928520.db2.gz JRJVBFRWJZLQNI-UHFFFAOYSA-N 1 2 352.391 0.326 20 5 FCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000279273658 488928523 /nfs/dbraw/zinc/92/85/23/488928523.db2.gz JRJVBFRWJZLQNI-UHFFFAOYSA-N 1 2 352.391 0.326 20 5 FCBDLO 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ZINC000044535210 487915795 /nfs/dbraw/zinc/91/57/95/487915795.db2.gz VEIZATYZRGAKOM-GFCCVEGCSA-N 1 2 360.374 0.626 20 5 FCBDLO O=C(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000045066604 487929663 /nfs/dbraw/zinc/92/96/63/487929663.db2.gz QPFBNGJFZAZFSH-UHFFFAOYSA-N 1 2 373.369 0.759 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000045973346 487961576 /nfs/dbraw/zinc/96/15/76/487961576.db2.gz XQZRRFNOOCVLEI-LBPRGKRZSA-N 1 2 350.375 0.162 20 5 FCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000047931687 488050004 /nfs/dbraw/zinc/05/00/04/488050004.db2.gz SGNAYNZUPDVYKZ-LLVKDONJSA-N 1 2 359.342 0.722 20 5 FCBDLO NC(=O)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000052826403 488182938 /nfs/dbraw/zinc/18/29/38/488182938.db2.gz DIQSOMPZLIWYGQ-UHFFFAOYSA-N 1 2 364.358 0.992 20 5 FCBDLO NC(=O)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000052826403 488182942 /nfs/dbraw/zinc/18/29/42/488182942.db2.gz DIQSOMPZLIWYGQ-UHFFFAOYSA-N 1 2 364.358 0.992 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060671174 488291383 /nfs/dbraw/zinc/29/13/83/488291383.db2.gz DLPCUYMBXHQUOI-GFCCVEGCSA-N 1 2 350.375 0.162 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1[N+](=O)[O-] ZINC000067128192 488344163 /nfs/dbraw/zinc/34/41/63/488344163.db2.gz OLTUWHHTCQXJBF-UHFFFAOYSA-N 1 2 359.404 0.292 20 5 FCBDLO O=C(CN1CC[NH+](CC(=O)NC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000067441842 488350896 /nfs/dbraw/zinc/35/08/96/488350896.db2.gz RCEWQDVPOWUPGV-UHFFFAOYSA-N 1 2 361.402 0.430 20 5 FCBDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000068345180 488363919 /nfs/dbraw/zinc/36/39/19/488363919.db2.gz FXXAKWBXAXLRJK-OAHLLOKOSA-N 1 2 362.430 0.960 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000082985584 488446577 /nfs/dbraw/zinc/44/65/77/488446577.db2.gz NMSLIOCFNHYYPQ-CYBMUJFWSA-N 1 2 362.386 0.841 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000090632400 488460422 /nfs/dbraw/zinc/46/04/22/488460422.db2.gz SWFZZWFVPRUFLC-ZDUSSCGKSA-N 1 2 350.354 0.509 20 5 FCBDLO CCc1nn(C)c(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000094157622 488480731 /nfs/dbraw/zinc/48/07/31/488480731.db2.gz KMMMZZBKGYHCJW-UHFFFAOYSA-N 1 2 359.452 0.812 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248663631 488500423 /nfs/dbraw/zinc/50/04/23/488500423.db2.gz ZWSNNUCZCKSGFC-QWRGUYRKSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000248663631 488500424 /nfs/dbraw/zinc/50/04/24/488500424.db2.gz ZWSNNUCZCKSGFC-QWRGUYRKSA-N 1 2 361.395 0.810 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249132352 488507220 /nfs/dbraw/zinc/50/72/20/488507220.db2.gz DFCKUSIDMKGGMO-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249132352 488507223 /nfs/dbraw/zinc/50/72/23/488507223.db2.gz DFCKUSIDMKGGMO-CHWSQXEVSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261980362 488544383 /nfs/dbraw/zinc/54/43/83/488544383.db2.gz JDFQJLIOWCOQMY-CYBMUJFWSA-N 1 2 365.415 0.972 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122425970 488578194 /nfs/dbraw/zinc/57/81/94/488578194.db2.gz OLBICHPIXXUORB-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122425970 488578196 /nfs/dbraw/zinc/57/81/96/488578196.db2.gz OLBICHPIXXUORB-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000126756303 488611859 /nfs/dbraw/zinc/61/18/59/488611859.db2.gz GVEGGXOMBZYIFE-CQSZACIVSA-N 1 2 363.418 0.668 20 5 FCBDLO COc1cc(OCC(=O)N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000263839401 488630559 /nfs/dbraw/zinc/63/05/59/488630559.db2.gz CJQPREGVYSYVDO-UHFFFAOYSA-N 1 2 353.375 0.773 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000273160858 488635632 /nfs/dbraw/zinc/63/56/32/488635632.db2.gz NOBCWFCFLASAHT-UONOGXRCSA-N 1 2 370.427 0.986 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000273160858 488635634 /nfs/dbraw/zinc/63/56/34/488635634.db2.gz NOBCWFCFLASAHT-UONOGXRCSA-N 1 2 370.427 0.986 20 5 FCBDLO CCc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000130338013 488637176 /nfs/dbraw/zinc/63/71/76/488637176.db2.gz QAFCMEHOOPODSJ-UHFFFAOYSA-N 1 2 351.403 0.924 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264027374 488643761 /nfs/dbraw/zinc/64/37/61/488643761.db2.gz YPUWKWZJNXWNSI-JTQLQIEISA-N 1 2 368.371 0.930 20 5 FCBDLO O=C(c1cccc(O)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000133034695 488657007 /nfs/dbraw/zinc/65/70/07/488657007.db2.gz RHRFBLVEIIXCOU-UHFFFAOYSA-N 1 2 372.381 0.920 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264620826 488691571 /nfs/dbraw/zinc/69/15/71/488691571.db2.gz RLTMJUGGURLKKJ-LBPRGKRZSA-N 1 2 374.394 0.352 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264620826 488691573 /nfs/dbraw/zinc/69/15/73/488691573.db2.gz RLTMJUGGURLKKJ-LBPRGKRZSA-N 1 2 374.394 0.352 20 5 FCBDLO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000264696079 488699926 /nfs/dbraw/zinc/69/99/26/488699926.db2.gz GLYHVOOQNOCPGI-LLVKDONJSA-N 1 2 350.375 1.000 20 5 FCBDLO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000264696079 488699928 /nfs/dbraw/zinc/69/99/28/488699928.db2.gz GLYHVOOQNOCPGI-LLVKDONJSA-N 1 2 350.375 1.000 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000264772528 488709886 /nfs/dbraw/zinc/70/98/86/488709886.db2.gz RPSZGRMHVGKZCM-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1C ZINC000264772528 488709887 /nfs/dbraw/zinc/70/98/87/488709887.db2.gz RPSZGRMHVGKZCM-ZDUSSCGKSA-N 1 2 356.448 0.736 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264791320 488712272 /nfs/dbraw/zinc/71/22/72/488712272.db2.gz XDFHNUBUCMNXFC-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO COc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264791320 488712273 /nfs/dbraw/zinc/71/22/73/488712273.db2.gz XDFHNUBUCMNXFC-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO O=C(C[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000274991924 488751450 /nfs/dbraw/zinc/75/14/50/488751450.db2.gz KUBBOHPZUSVRBX-UHFFFAOYSA-N 1 2 363.374 0.076 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000155654422 488758051 /nfs/dbraw/zinc/75/80/51/488758051.db2.gz PZMPDGMOFUEYOD-LBPRGKRZSA-N 1 2 367.387 0.768 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000155654422 488758052 /nfs/dbraw/zinc/75/80/52/488758052.db2.gz PZMPDGMOFUEYOD-LBPRGKRZSA-N 1 2 367.387 0.768 20 5 FCBDLO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267110124 488762091 /nfs/dbraw/zinc/76/20/91/488762091.db2.gz XDYYVMAGVQOMOF-UHFFFAOYSA-N 1 2 373.369 0.978 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000267147351 488764960 /nfs/dbraw/zinc/76/49/60/488764960.db2.gz PEYMPMPTZUPXBA-UHFFFAOYSA-N 1 2 350.375 0.382 20 5 FCBDLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000275225038 488774508 /nfs/dbraw/zinc/77/45/08/488774508.db2.gz DQXJSQIOZVOEMI-NSHDSACASA-N 1 2 350.375 0.367 20 5 FCBDLO CCN(CC)C(=O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159717468 488786873 /nfs/dbraw/zinc/78/68/73/488786873.db2.gz UPLVIFCWSKUMER-UHFFFAOYSA-N 1 2 365.434 0.243 20 5 FCBDLO CCN(CC)C(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159717468 488786876 /nfs/dbraw/zinc/78/68/76/488786876.db2.gz UPLVIFCWSKUMER-UHFFFAOYSA-N 1 2 365.434 0.243 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000267769591 488819044 /nfs/dbraw/zinc/81/90/44/488819044.db2.gz YXBQRJKFSSFTBA-CQSZACIVSA-N 1 2 366.418 0.183 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000171944380 488829308 /nfs/dbraw/zinc/82/93/08/488829308.db2.gz SPIDFIAIDKJCID-UHFFFAOYSA-N 1 2 351.388 0.824 20 5 FCBDLO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](C)CC1 ZINC000174605165 488850322 /nfs/dbraw/zinc/85/03/22/488850322.db2.gz KZBQLCMJTVAPEM-AWEZNQCLSA-N 1 2 351.407 0.697 20 5 FCBDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccncc1[N+](=O)[O-] ZINC000364686604 488986281 /nfs/dbraw/zinc/98/62/81/488986281.db2.gz PTVHYWLXRAXBOK-OAHLLOKOSA-N 1 2 367.431 0.741 20 5 FCBDLO CC(C)n1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 ZINC000289706693 489088067 /nfs/dbraw/zinc/08/80/67/489088067.db2.gz LAKHWLADPRVKSF-UHFFFAOYSA-N 1 2 368.419 0.835 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000297708422 489228182 /nfs/dbraw/zinc/22/81/82/489228182.db2.gz BFTXMTJKWBHHDS-ZDUSSCGKSA-N 1 2 364.402 0.987 20 5 FCBDLO CCS(=O)(=O)NCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298012973 489278089 /nfs/dbraw/zinc/27/80/89/489278089.db2.gz COEIJTGCLNZRRG-UHFFFAOYSA-N 1 2 357.436 0.441 20 5 FCBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825466 489279891 /nfs/dbraw/zinc/27/98/91/489279891.db2.gz WENPLUAOULKDEZ-HOTGVXAUSA-N 1 2 359.386 0.325 20 5 FCBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825466 489279895 /nfs/dbraw/zinc/27/98/95/489279895.db2.gz WENPLUAOULKDEZ-HOTGVXAUSA-N 1 2 359.386 0.325 20 5 FCBDLO Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C)CC1 ZINC000298135228 489295590 /nfs/dbraw/zinc/29/55/90/489295590.db2.gz JXDJWKFLCLEKPS-UHFFFAOYSA-N 1 2 363.403 0.657 20 5 FCBDLO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286163005 489363313 /nfs/dbraw/zinc/36/33/13/489363313.db2.gz QLSYOIFBOZRVHP-GFCCVEGCSA-N 1 2 362.308 0.866 20 5 FCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000299009723 489394466 /nfs/dbraw/zinc/39/44/66/489394466.db2.gz KTPMRHUZFZXPPX-SNVBAGLBSA-N 1 2 357.326 0.592 20 5 FCBDLO Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286527779 489401201 /nfs/dbraw/zinc/40/12/01/489401201.db2.gz CAJHCTKPKCYKDR-UHFFFAOYSA-N 1 2 372.385 0.293 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000299281143 489428102 /nfs/dbraw/zinc/42/81/02/489428102.db2.gz MLJGIFVQEMJNHT-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000299281143 489428103 /nfs/dbraw/zinc/42/81/03/489428103.db2.gz MLJGIFVQEMJNHT-UHFFFAOYSA-N 1 2 364.402 0.644 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000371100001 489451615 /nfs/dbraw/zinc/45/16/15/489451615.db2.gz NXWSPHXDMIPPOK-KGLIPLIRSA-N 1 2 368.415 0.453 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000371100001 489451616 /nfs/dbraw/zinc/45/16/16/489451616.db2.gz NXWSPHXDMIPPOK-KGLIPLIRSA-N 1 2 368.415 0.453 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485568 489471026 /nfs/dbraw/zinc/47/10/26/489471026.db2.gz AQWSEVCVNVEPNF-GXFFZTMASA-N 1 2 356.404 0.545 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000363485568 489471028 /nfs/dbraw/zinc/47/10/28/489471028.db2.gz AQWSEVCVNVEPNF-GXFFZTMASA-N 1 2 356.404 0.545 20 5 FCBDLO CCOc1ccc(NC(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000287233644 489471648 /nfs/dbraw/zinc/47/16/48/489471648.db2.gz GAVPDBLBYOZHKW-VXGBXAGGSA-N 1 2 353.375 0.750 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000426891252 489585832 /nfs/dbraw/zinc/58/58/32/489585832.db2.gz NZRYIHZSNLDRHE-UHFFFAOYSA-N 1 2 350.375 0.497 20 5 FCBDLO COc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427047460 489591759 /nfs/dbraw/zinc/59/17/59/489591759.db2.gz VVWPNLITUBXCLB-LLVKDONJSA-N 1 2 359.342 0.870 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000427505661 489612616 /nfs/dbraw/zinc/61/26/16/489612616.db2.gz OMSDJPLKUMZKLZ-VIFPVBQESA-N 1 2 365.371 0.253 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427505661 489612619 /nfs/dbraw/zinc/61/26/19/489612619.db2.gz OMSDJPLKUMZKLZ-VIFPVBQESA-N 1 2 365.371 0.253 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000427836999 489623047 /nfs/dbraw/zinc/62/30/47/489623047.db2.gz PPAMFZVIQBKEHX-UHFFFAOYSA-N 1 2 360.374 0.653 20 5 FCBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427924789 489628995 /nfs/dbraw/zinc/62/89/95/489628995.db2.gz RNSULYWPWWOQMU-UHFFFAOYSA-N 1 2 372.385 0.642 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428779453 489664344 /nfs/dbraw/zinc/66/43/44/489664344.db2.gz FSOZQRUKFLZAEJ-GFCCVEGCSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428779453 489664347 /nfs/dbraw/zinc/66/43/47/489664347.db2.gz FSOZQRUKFLZAEJ-GFCCVEGCSA-N 1 2 370.431 0.807 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000469278362 489699119 /nfs/dbraw/zinc/69/91/19/489699119.db2.gz PHAOSNKDBRUKEA-JTQLQIEISA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000469278362 489699122 /nfs/dbraw/zinc/69/91/22/489699122.db2.gz PHAOSNKDBRUKEA-JTQLQIEISA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537434 489750346 /nfs/dbraw/zinc/75/03/46/489750346.db2.gz CACWVWCKSLSFSE-KGLIPLIRSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000376537434 489750351 /nfs/dbraw/zinc/75/03/51/489750351.db2.gz CACWVWCKSLSFSE-KGLIPLIRSA-N 1 2 354.359 0.598 20 5 FCBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000490320271 489761975 /nfs/dbraw/zinc/76/19/75/489761975.db2.gz FXCYAFAVBOSIEM-ZDUSSCGKSA-N 1 2 374.397 0.949 20 5 FCBDLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000490583856 489775002 /nfs/dbraw/zinc/77/50/02/489775002.db2.gz KHZNWVNITRCVBG-UHFFFAOYSA-N 1 2 362.386 0.681 20 5 FCBDLO CC(C)c1n[nH]c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1[N+](=O)[O-] ZINC000434246175 489919807 /nfs/dbraw/zinc/91/98/07/489919807.db2.gz QOWQHMLGGLEUTJ-UHFFFAOYSA-N 1 2 362.394 0.491 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434997732 489972976 /nfs/dbraw/zinc/97/29/76/489972976.db2.gz WTTSFOJLMQQXCV-CZUORRHYSA-N 1 2 366.418 0.547 20 5 FCBDLO CC[C@@H](O)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000420623830 490003266 /nfs/dbraw/zinc/00/32/66/490003266.db2.gz IPNHTGJDZMWZFT-GFCCVEGCSA-N 1 2 372.447 0.714 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420908170 490030545 /nfs/dbraw/zinc/03/05/45/490030545.db2.gz WLRJCJJQIKKHGL-OTVXOJSOSA-N 1 2 369.443 0.980 20 5 FCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1c[nH+]cn1C ZINC000420971407 490037130 /nfs/dbraw/zinc/03/71/30/490037130.db2.gz HZIZDFZMGKOULZ-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO CC(=O)N1CCN(c2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2[N+](=O)[O-])CC1 ZINC000478843519 490042498 /nfs/dbraw/zinc/04/24/98/490042498.db2.gz ZRYHEXWCFXYENC-UHFFFAOYSA-N 1 2 372.385 0.916 20 5 FCBDLO CC(=O)N1CCN(c2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2[N+](=O)[O-])CC1 ZINC000478843519 490042503 /nfs/dbraw/zinc/04/25/03/490042503.db2.gz ZRYHEXWCFXYENC-UHFFFAOYSA-N 1 2 372.385 0.916 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000532855716 490130050 /nfs/dbraw/zinc/13/00/50/490130050.db2.gz XFAVMWDCHSEZES-LBPRGKRZSA-N 1 2 373.435 0.154 20 5 FCBDLO C[C@](O)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000546063620 490183658 /nfs/dbraw/zinc/18/36/58/490183658.db2.gz JUUYKJBMZNTKNR-HNNXBMFYSA-N 1 2 373.431 0.097 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000520753569 490184652 /nfs/dbraw/zinc/18/46/52/490184652.db2.gz FFPUVIGVEQIASN-ZDUSSCGKSA-N 1 2 364.402 0.987 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000520753569 490184660 /nfs/dbraw/zinc/18/46/60/490184660.db2.gz FFPUVIGVEQIASN-ZDUSSCGKSA-N 1 2 364.402 0.987 20 5 FCBDLO CN1CCC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000564556913 491313617 /nfs/dbraw/zinc/31/36/17/491313617.db2.gz LTXXESKQEXUEIL-CQSZACIVSA-N 1 2 370.431 0.426 20 5 FCBDLO CN1CCC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000564556913 491313618 /nfs/dbraw/zinc/31/36/18/491313618.db2.gz LTXXESKQEXUEIL-CQSZACIVSA-N 1 2 370.431 0.426 20 5 FCBDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000498987818 490375601 /nfs/dbraw/zinc/37/56/01/490375601.db2.gz YFZIDMPQZIDGIJ-UHFFFAOYSA-N 1 2 373.369 0.315 20 5 FCBDLO CS(=O)(=O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448765273 490377803 /nfs/dbraw/zinc/37/78/03/490377803.db2.gz XJHPRVWKFJHLKF-UHFFFAOYSA-N 1 2 352.372 0.945 20 5 FCBDLO COCCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000548028602 490409776 /nfs/dbraw/zinc/40/97/76/490409776.db2.gz JOXHVFDITJEKOF-CABCVRRESA-N 1 2 363.370 0.964 20 5 FCBDLO COCCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000548028602 490409780 /nfs/dbraw/zinc/40/97/80/490409780.db2.gz JOXHVFDITJEKOF-CABCVRRESA-N 1 2 363.370 0.964 20 5 FCBDLO Nc1c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000468703792 490437877 /nfs/dbraw/zinc/43/78/77/490437877.db2.gz XLWRHGSWXCVIQI-UHFFFAOYSA-N 1 2 360.374 0.958 20 5 FCBDLO Cc1nc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000450289885 490457700 /nfs/dbraw/zinc/45/77/00/490457700.db2.gz CBAUQDNKZQFFOZ-UHFFFAOYSA-N 1 2 371.401 1.239 20 5 FCBDLO Cc1nc(Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)ncc1[N+](=O)[O-] ZINC000450312700 490459104 /nfs/dbraw/zinc/45/91/04/490459104.db2.gz IMSJKRTUORSILG-UHFFFAOYSA-N 1 2 360.378 0.407 20 5 FCBDLO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000523436690 490465320 /nfs/dbraw/zinc/46/53/20/490465320.db2.gz GVDVAUGIDBEZAQ-NSHDSACASA-N 1 2 351.359 0.832 20 5 FCBDLO COC(=O)c1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000523436690 490465326 /nfs/dbraw/zinc/46/53/26/490465326.db2.gz GVDVAUGIDBEZAQ-NSHDSACASA-N 1 2 351.359 0.832 20 5 FCBDLO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000511376086 490587972 /nfs/dbraw/zinc/58/79/72/490587972.db2.gz FTZFTTXJGUHFND-NSHDSACASA-N 1 2 358.420 0.636 20 5 FCBDLO CNS(=O)(=O)c1ccc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000511376086 490587976 /nfs/dbraw/zinc/58/79/76/490587976.db2.gz FTZFTTXJGUHFND-NSHDSACASA-N 1 2 358.420 0.636 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000536586303 490595220 /nfs/dbraw/zinc/59/52/20/490595220.db2.gz XJKJRZMVZJBRHW-UHFFFAOYSA-N 1 2 358.402 0.880 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000549868079 490612062 /nfs/dbraw/zinc/61/20/62/490612062.db2.gz NIWMXKXGXVLGPL-UHFFFAOYSA-N 1 2 370.431 0.855 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000537020613 490638660 /nfs/dbraw/zinc/63/86/60/490638660.db2.gz FLTAEMOMFJHNNG-NSHDSACASA-N 1 2 372.403 0.248 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)C1 ZINC000537020613 490638664 /nfs/dbraw/zinc/63/86/64/490638664.db2.gz FLTAEMOMFJHNNG-NSHDSACASA-N 1 2 372.403 0.248 20 5 FCBDLO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000512635274 490690747 /nfs/dbraw/zinc/69/07/47/490690747.db2.gz PKNJTENAKJIBPV-UHFFFAOYSA-N 1 2 350.375 0.081 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000556992962 491347208 /nfs/dbraw/zinc/34/72/08/491347208.db2.gz YQLVCUSORGTSQG-SNVBAGLBSA-N 1 2 352.347 0.310 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000556992962 491347210 /nfs/dbraw/zinc/34/72/10/491347210.db2.gz YQLVCUSORGTSQG-SNVBAGLBSA-N 1 2 352.347 0.310 20 5 FCBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N(CCO)CC[NH+]1CCOCC1 ZINC000502451757 490705398 /nfs/dbraw/zinc/70/53/98/490705398.db2.gz VBDISMACTLQCGR-UHFFFAOYSA-N 1 2 363.374 0.238 20 5 FCBDLO CCn1cc[nH+]c1CNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000565212029 491361094 /nfs/dbraw/zinc/36/10/94/491361094.db2.gz DYPIDKQYXMFSMN-UHFFFAOYSA-N 1 2 361.358 0.866 20 5 FCBDLO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000541627498 490867702 /nfs/dbraw/zinc/86/77/02/490867702.db2.gz ZULFUYWELWIKJP-IUODEOHRSA-N 1 2 353.375 0.704 20 5 FCBDLO Cc1c(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000517121371 490895937 /nfs/dbraw/zinc/89/59/37/490895937.db2.gz SRIKWDKULHBODP-UHFFFAOYSA-N 1 2 374.397 0.696 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530717977 490920971 /nfs/dbraw/zinc/92/09/71/490920971.db2.gz IDWLLGGIWVWTPO-LLVKDONJSA-N 1 2 363.374 0.373 20 5 FCBDLO C[C@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544673345 490975574 /nfs/dbraw/zinc/97/55/74/490975574.db2.gz ODEUHYFGHMJZLL-NSHDSACASA-N 1 2 352.366 0.776 20 5 FCBDLO C[C@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000544673345 490975575 /nfs/dbraw/zinc/97/55/75/490975575.db2.gz ODEUHYFGHMJZLL-NSHDSACASA-N 1 2 352.366 0.776 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165085 490989193 /nfs/dbraw/zinc/98/91/93/490989193.db2.gz XDQSYPDYWRDOQR-LBPRGKRZSA-N 1 2 372.447 0.978 20 5 FCBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[C@@H](C)CO1 ZINC000596428817 491985487 /nfs/dbraw/zinc/98/54/87/491985487.db2.gz IHIOSQQQCHQGDV-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[C@@H](C)CO1 ZINC000596428817 491985490 /nfs/dbraw/zinc/98/54/90/491985490.db2.gz IHIOSQQQCHQGDV-QWRGUYRKSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[C@H](C)CO1 ZINC000596428815 491985578 /nfs/dbraw/zinc/98/55/78/491985578.db2.gz IHIOSQQQCHQGDV-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)[C@H](C)CO1 ZINC000596428815 491985579 /nfs/dbraw/zinc/98/55/79/491985579.db2.gz IHIOSQQQCHQGDV-GHMZBOCLSA-N 1 2 358.420 0.763 20 5 FCBDLO CCn1cc[nH+]c1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000573815412 491456744 /nfs/dbraw/zinc/45/67/44/491456744.db2.gz QALNATULUNHVCN-UHFFFAOYSA-N 1 2 367.387 0.697 20 5 FCBDLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000567720593 491524784 /nfs/dbraw/zinc/52/47/84/491524784.db2.gz OORGXBBCASREIG-ZIAGYGMSSA-N 1 2 356.379 0.100 20 5 FCBDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000567720592 491524893 /nfs/dbraw/zinc/52/48/93/491524893.db2.gz OORGXBBCASREIG-UONOGXRCSA-N 1 2 356.379 0.100 20 5 FCBDLO COC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[C@@H](OC)C1 ZINC000574881217 491525848 /nfs/dbraw/zinc/52/58/48/491525848.db2.gz KWDZLQRIZWKEOQ-FAAHXZRKSA-N 1 2 370.406 0.489 20 5 FCBDLO CN1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000576456069 491616418 /nfs/dbraw/zinc/61/64/18/491616418.db2.gz GNRYXNJCXYQQNV-ZDUSSCGKSA-N 1 2 355.416 0.921 20 5 FCBDLO CN1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000576456069 491616421 /nfs/dbraw/zinc/61/64/21/491616421.db2.gz GNRYXNJCXYQQNV-ZDUSSCGKSA-N 1 2 355.416 0.921 20 5 FCBDLO CCc1n[nH]c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000562176801 491657915 /nfs/dbraw/zinc/65/79/15/491657915.db2.gz XFZGCFXILZWUNM-UHFFFAOYSA-N 1 2 367.406 0.180 20 5 FCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000591593283 491809940 /nfs/dbraw/zinc/80/99/40/491809940.db2.gz GXVXQUVSLHORTL-UHFFFAOYSA-N 1 2 370.373 0.572 20 5 FCBDLO CCc1n[nH]c(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c1[N+](=O)[O-] ZINC000584355906 491863695 /nfs/dbraw/zinc/86/36/95/491863695.db2.gz QJHCTIJFXGKERD-SNVBAGLBSA-N 1 2 362.390 0.665 20 5 FCBDLO CC(C)(CO)[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000612099136 491898315 /nfs/dbraw/zinc/89/83/15/491898315.db2.gz UETUZSZYYIWSIP-UHFFFAOYSA-N 1 2 371.459 0.757 20 5 FCBDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596105872 491975460 /nfs/dbraw/zinc/97/54/60/491975460.db2.gz PFXKIPDAFWKOSS-UHFFFAOYSA-N 1 2 350.375 0.769 20 5 FCBDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596105872 491975461 /nfs/dbraw/zinc/97/54/61/491975461.db2.gz PFXKIPDAFWKOSS-UHFFFAOYSA-N 1 2 350.375 0.769 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000602787804 491998339 /nfs/dbraw/zinc/99/83/39/491998339.db2.gz KBTYQWQNCHDMDW-CQSZACIVSA-N 1 2 364.450 0.728 20 5 FCBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000602787804 491998341 /nfs/dbraw/zinc/99/83/41/491998341.db2.gz KBTYQWQNCHDMDW-CQSZACIVSA-N 1 2 364.450 0.728 20 5 FCBDLO Cn1c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000603612489 492038743 /nfs/dbraw/zinc/03/87/43/492038743.db2.gz OPFSMWXBPDXRRP-OAHLLOKOSA-N 1 2 354.432 0.871 20 5 FCBDLO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000597709032 492061055 /nfs/dbraw/zinc/06/10/55/492061055.db2.gz GDKSHTPTBIMJRK-CYBMUJFWSA-N 1 2 351.407 0.850 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000604563198 492063707 /nfs/dbraw/zinc/06/37/07/492063707.db2.gz AUFRZUAQXMFPJF-OLZOCXBDSA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000604563198 492063709 /nfs/dbraw/zinc/06/37/09/492063709.db2.gz AUFRZUAQXMFPJF-OLZOCXBDSA-N 1 2 364.402 0.550 20 5 FCBDLO Nc1nn2c(nc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2=O)[nH]1 ZINC000598594438 492106445 /nfs/dbraw/zinc/10/64/45/492106445.db2.gz JRTWWYNPYXMTFW-UHFFFAOYSA-N 1 2 355.358 0.903 20 5 FCBDLO Nc1nn2c(nc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2=O)[nH]1 ZINC000598594438 492106447 /nfs/dbraw/zinc/10/64/47/492106447.db2.gz JRTWWYNPYXMTFW-UHFFFAOYSA-N 1 2 355.358 0.903 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000598946812 492126362 /nfs/dbraw/zinc/12/63/62/492126362.db2.gz IYZMNXVGAZUOAF-ZDUSSCGKSA-N 1 2 357.370 0.961 20 5 FCBDLO Cc1c(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598944447 492126398 /nfs/dbraw/zinc/12/63/98/492126398.db2.gz NDEFCAMOKLZVEN-SECBINFHSA-N 1 2 365.371 0.102 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599619089 492194407 /nfs/dbraw/zinc/19/44/07/492194407.db2.gz UEJKIFHODZKEOR-UHFFFAOYSA-N 1 2 352.366 0.904 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599619089 492194408 /nfs/dbraw/zinc/19/44/08/492194408.db2.gz UEJKIFHODZKEOR-UHFFFAOYSA-N 1 2 352.366 0.904 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646342 492196225 /nfs/dbraw/zinc/19/62/25/492196225.db2.gz HWGLUEVMRREJFT-JTQLQIEISA-N 1 2 371.419 0.179 20 5 FCBDLO NS(=O)(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599645658 492196237 /nfs/dbraw/zinc/19/62/37/492196237.db2.gz CWWBPPUALLJTEC-UHFFFAOYSA-N 1 2 354.392 0.229 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471204 492209282 /nfs/dbraw/zinc/20/92/82/492209282.db2.gz INAFESGDAAZARK-ZDUSSCGKSA-N 1 2 352.391 0.994 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471204 492209283 /nfs/dbraw/zinc/20/92/83/492209283.db2.gz INAFESGDAAZARK-ZDUSSCGKSA-N 1 2 352.391 0.994 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609467530 492209288 /nfs/dbraw/zinc/20/92/88/492209288.db2.gz BWNBJLUWMHZOGJ-CYBMUJFWSA-N 1 2 352.391 0.994 20 5 FCBDLO Cc1n[nH]c(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000609794509 492222259 /nfs/dbraw/zinc/22/22/59/492222259.db2.gz HXGNPZYZMBZJEX-LBPRGKRZSA-N 1 2 373.417 0.962 20 5 FCBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000610266152 492240920 /nfs/dbraw/zinc/24/09/20/492240920.db2.gz JKXYGHONPVDYGR-GFCCVEGCSA-N 1 2 356.404 0.333 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000619466250 492263887 /nfs/dbraw/zinc/26/38/87/492263887.db2.gz CXRBTGGAQNOKOO-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000610899001 492267023 /nfs/dbraw/zinc/26/70/23/492267023.db2.gz WNTUWBLHJUFNPJ-GWCFXTLKSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000610899001 492267024 /nfs/dbraw/zinc/26/70/24/492267024.db2.gz WNTUWBLHJUFNPJ-GWCFXTLKSA-N 1 2 359.404 0.601 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000619872975 492280545 /nfs/dbraw/zinc/28/05/45/492280545.db2.gz SOYOTIDPAMZIEA-UHFFFAOYSA-N 1 2 363.378 0.867 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271795 492283328 /nfs/dbraw/zinc/28/33/28/492283328.db2.gz LOUDOZAZCWBGAC-LBPRGKRZSA-N 1 2 371.415 0.880 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271795 492283330 /nfs/dbraw/zinc/28/33/30/492283330.db2.gz LOUDOZAZCWBGAC-LBPRGKRZSA-N 1 2 371.415 0.880 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611530909 492289784 /nfs/dbraw/zinc/28/97/84/492289784.db2.gz FNDCNILSFOJINP-LBPRGKRZSA-N 1 2 371.415 0.880 20 5 FCBDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611530909 492289785 /nfs/dbraw/zinc/28/97/85/492289785.db2.gz FNDCNILSFOJINP-LBPRGKRZSA-N 1 2 371.415 0.880 20 5 FCBDLO COC(=O)c1conc1C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425559032 536849699 /nfs/dbraw/zinc/84/96/99/536849699.db2.gz GEVPLJRZGJTINP-JTQLQIEISA-N 1 2 353.335 0.452 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193577 546946061 /nfs/dbraw/zinc/94/60/61/546946061.db2.gz BIRCKEFOGQPQSU-WDMOLILDSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000592193577 546946063 /nfs/dbraw/zinc/94/60/63/546946063.db2.gz BIRCKEFOGQPQSU-WDMOLILDSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592200362 546946477 /nfs/dbraw/zinc/94/64/77/546946477.db2.gz WANPNFIQURPSTQ-JTNHKYCSSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000592200362 546946479 /nfs/dbraw/zinc/94/64/79/546946479.db2.gz WANPNFIQURPSTQ-JTNHKYCSSA-N 1 2 351.359 0.778 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000592530984 546953761 /nfs/dbraw/zinc/95/37/61/546953761.db2.gz IGTXCGNAABBWNO-RYUDHWBXSA-N 1 2 354.359 0.968 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000592530984 546953765 /nfs/dbraw/zinc/95/37/65/546953765.db2.gz IGTXCGNAABBWNO-RYUDHWBXSA-N 1 2 354.359 0.968 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651333 546986322 /nfs/dbraw/zinc/98/63/22/546986322.db2.gz HGPOUSICVRCTPV-CYBMUJFWSA-N 1 2 355.416 0.651 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651333 546986328 /nfs/dbraw/zinc/98/63/28/546986328.db2.gz HGPOUSICVRCTPV-CYBMUJFWSA-N 1 2 355.416 0.651 20 5 FCBDLO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000033716251 568539123 /nfs/dbraw/zinc/53/91/23/568539123.db2.gz WSWVHVTWLQUVAM-UHFFFAOYSA-N 1 2 371.401 0.943 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737174627 599117910 /nfs/dbraw/zinc/11/79/10/599117910.db2.gz WIDRLSXVFGTJBB-VWLOTQADSA-N 1 2 365.419 0.275 20 5 FCBDLO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000820776686 606716067 /nfs/dbraw/zinc/71/60/67/606716067.db2.gz MIGVSGWLJRZBIR-ZYHUDNBSSA-N 1 2 360.378 0.327 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000823620675 607165470 /nfs/dbraw/zinc/16/54/70/607165470.db2.gz OEEQVZSYOYEUET-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO COCc1noc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985432166 665166896 /nfs/dbraw/zinc/16/68/96/665166896.db2.gz WUPUEFORFSTRLY-VXGBXAGGSA-N 1 2 353.379 0.304 20 5 FCBDLO COCc1noc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985432166 665166897 /nfs/dbraw/zinc/16/68/97/665166897.db2.gz WUPUEFORFSTRLY-VXGBXAGGSA-N 1 2 353.379 0.304 20 5 FCBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897519 666484814 /nfs/dbraw/zinc/48/48/14/666484814.db2.gz UKNJOBOBZNVACC-UHFFFAOYSA-N 1 2 353.350 0.841 20 5 FCBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897519 666484816 /nfs/dbraw/zinc/48/48/16/666484816.db2.gz UKNJOBOBZNVACC-UHFFFAOYSA-N 1 2 353.350 0.841 20 5 FCBDLO CCOc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000996439906 666920442 /nfs/dbraw/zinc/92/04/42/666920442.db2.gz ISHWHAHEWQFTMZ-GHMZBOCLSA-N 1 2 355.420 0.683 20 5 FCBDLO CN(C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCCCC1 ZINC001031660950 667239528 /nfs/dbraw/zinc/23/95/28/667239528.db2.gz YBYXKDTVJJVBSJ-HUUCEWRRSA-N 1 2 352.435 0.491 20 5 FCBDLO Cc1c(C(=O)OCCCn2cc[nH+]c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000783709734 668627972 /nfs/dbraw/zinc/62/79/72/668627972.db2.gz FNOXWYJEDBKHQJ-UHFFFAOYSA-N 1 2 368.371 0.994 20 5 FCBDLO NS(=O)(=O)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676709 668724988 /nfs/dbraw/zinc/72/49/88/668724988.db2.gz XJVLMGYJURTJBI-UHFFFAOYSA-N 1 2 354.344 0.616 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000788603290 668834370 /nfs/dbraw/zinc/83/43/70/668834370.db2.gz FEKVEUYUMFQVAL-GWCFXTLKSA-N 1 2 355.322 0.671 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000788603290 668834372 /nfs/dbraw/zinc/83/43/72/668834372.db2.gz FEKVEUYUMFQVAL-GWCFXTLKSA-N 1 2 355.322 0.671 20 5 FCBDLO Cc1nn(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-] ZINC000795652817 669052462 /nfs/dbraw/zinc/05/24/62/669052462.db2.gz ZYGOZGNMOIJEBE-CYBMUJFWSA-N 1 2 359.452 0.969 20 5 FCBDLO Cc1nn(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-] ZINC000795652817 669052467 /nfs/dbraw/zinc/05/24/67/669052467.db2.gz ZYGOZGNMOIJEBE-CYBMUJFWSA-N 1 2 359.452 0.969 20 5 FCBDLO COC(=O)[C@@H]1CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)O1 ZINC000840058164 669399851 /nfs/dbraw/zinc/39/98/51/669399851.db2.gz LXRCFGZFEJGIFL-NSHDSACASA-N 1 2 353.335 0.380 20 5 FCBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547764158 1168325148 /nfs/dbraw/zinc/32/51/48/1168325148.db2.gz SMGKHEOPZNULGA-LBPRGKRZSA-N 1 2 359.390 0.653 20 5 FCBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnnn2Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063862 1170549601 /nfs/dbraw/zinc/54/96/01/1170549601.db2.gz MYCCOOBUOUYDFC-LXTVHRRPSA-N 1 2 371.401 0.123 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cn(-c4ccccc4)nn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777428 1182823628 /nfs/dbraw/zinc/82/36/28/1182823628.db2.gz MGWRNIPWRGIXJT-UUAJXVIYSA-N 1 2 368.397 0.479 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777428 1182823630 /nfs/dbraw/zinc/82/36/30/1182823630.db2.gz MGWRNIPWRGIXJT-UUAJXVIYSA-N 1 2 368.397 0.479 20 5 FCBDLO COC(=O)COc1ccc(C[NH2+]Cc2cc(C(N)=O)no2)cc1[N+](=O)[O-] ZINC000475122033 1190669731 /nfs/dbraw/zinc/66/97/31/1190669731.db2.gz VMOFESKPRYRYFP-UHFFFAOYSA-N 1 2 364.314 0.523 20 5 FCBDLO CCc1nnc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C ZINC001029964604 1191036295 /nfs/dbraw/zinc/03/62/95/1191036295.db2.gz QQFRVOUARALTOH-ZIAGYGMSSA-N 1 2 364.450 0.713 20 5 FCBDLO CCc1nnc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1C ZINC001029964604 1191036296 /nfs/dbraw/zinc/03/62/96/1191036296.db2.gz QQFRVOUARALTOH-ZIAGYGMSSA-N 1 2 364.450 0.713 20 5 FCBDLO CN(C)c1noc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964548 1191037792 /nfs/dbraw/zinc/03/77/92/1191037792.db2.gz OGSXCFSUBXPWOD-CHWSQXEVSA-N 1 2 366.422 0.471 20 5 FCBDLO CN(C)c1noc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964548 1191037793 /nfs/dbraw/zinc/03/77/93/1191037793.db2.gz OGSXCFSUBXPWOD-CHWSQXEVSA-N 1 2 366.422 0.471 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592195016 1196560872 /nfs/dbraw/zinc/56/08/72/1196560872.db2.gz ITAINEYOYYZSIL-JSGCOSHPSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592195016 1196560876 /nfs/dbraw/zinc/56/08/76/1196560876.db2.gz ITAINEYOYYZSIL-JSGCOSHPSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592195018 1196560963 /nfs/dbraw/zinc/56/09/63/1196560963.db2.gz ITAINEYOYYZSIL-TZMCWYRMSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592195018 1196560966 /nfs/dbraw/zinc/56/09/66/1196560966.db2.gz ITAINEYOYYZSIL-TZMCWYRMSA-N 1 2 363.370 0.340 20 5 FCBDLO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000593402679 1196780338 /nfs/dbraw/zinc/78/03/38/1196780338.db2.gz LJQDNEOCGBNZJU-UHFFFAOYSA-N 1 2 373.413 0.898 20 5 FCBDLO COCCOCC[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000593886207 1196833463 /nfs/dbraw/zinc/83/34/63/1196833463.db2.gz FTHHAIUZXZHJPT-UHFFFAOYSA-N 1 2 366.418 0.814 20 5 FCBDLO Nc1cc(COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc[nH+]1 ZINC000791572054 1201149869 /nfs/dbraw/zinc/14/98/69/1201149869.db2.gz WSFNNDNMULREAK-UHFFFAOYSA-N 1 2 356.294 0.911 20 5 FCBDLO COc1ccc(C[C@@H](C)[NH+]2CC(N3CCN(C)C(=O)C3)C2)c([N+](=O)[O-])c1 ZINC001170345877 1201208096 /nfs/dbraw/zinc/20/80/96/1201208096.db2.gz NEJLBIKCGILIRE-CYBMUJFWSA-N 1 2 362.430 0.993 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(C[NH2+]Cc3cccnc3)nn2)C1 ZINC001093318209 1206074940 /nfs/dbraw/zinc/07/49/40/1206074940.db2.gz DSJRUYTUBDPDOA-HUUCEWRRSA-N 1 2 357.374 0.011 20 5 FCBDLO Cn1c[nH+]cc1CN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001093536300 1206091060 /nfs/dbraw/zinc/09/10/60/1206091060.db2.gz FQHCQMTWMNEIQF-HZPDHXFCSA-N 1 2 363.418 0.277 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273490 1208488996 /nfs/dbraw/zinc/48/89/96/1208488996.db2.gz BZWVTYMMRWEMLH-MRXNPFEDSA-N 1 2 366.418 0.008 20 5 FCBDLO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370417503 1211331490 /nfs/dbraw/zinc/33/14/90/1211331490.db2.gz ZLLARUZNWJXSOL-CQSZACIVSA-N 1 2 372.385 0.722 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000952705780 1212971043 /nfs/dbraw/zinc/97/10/43/1212971043.db2.gz TWGFGYHQHVDMHF-XJFOESAGSA-N 1 2 361.402 0.599 20 5 FCBDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000953927054 1213025081 /nfs/dbraw/zinc/02/50/81/1213025081.db2.gz NRNHMBQXRIYLDH-CHWSQXEVSA-N 1 2 363.418 0.802 20 5 FCBDLO O=C(Cn1cc[nH+]c1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000959731757 1213522694 /nfs/dbraw/zinc/52/26/94/1213522694.db2.gz FGIKMJRPSBZTEA-XLWJZTARSA-N 1 2 361.402 0.434 20 5 FCBDLO C[C@@]12CN(C(=O)Cn3cc[nH+]c3)C[C@]1(C)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010976741 1213824264 /nfs/dbraw/zinc/82/42/64/1213824264.db2.gz JAVGZMRWRRXPFF-KFZJALRRSA-N 1 2 361.402 0.245 20 5 FCBDLO COCCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001001395485 1216186995 /nfs/dbraw/zinc/18/69/95/1216186995.db2.gz NELZQYKSVAHMFS-CHWSQXEVSA-N 1 2 367.406 0.252 20 5 FCBDLO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(C[NH+](C)C)on1 ZINC001067389937 1217399829 /nfs/dbraw/zinc/39/98/29/1217399829.db2.gz WKLIGDMGTLEBDR-TZMCWYRMSA-N 1 2 367.406 0.322 20 5 FCBDLO COc1coc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001045437077 1217928046 /nfs/dbraw/zinc/92/80/46/1217928046.db2.gz CGYVIRGPCDNRGJ-CHWSQXEVSA-N 1 2 365.386 0.784 20 5 FCBDLO CC(C)[N@@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001074109754 1219684920 /nfs/dbraw/zinc/68/49/20/1219684920.db2.gz LHZQVIOJOJEINE-ZIAGYGMSSA-N 1 2 362.434 0.873 20 5 FCBDLO CC(C)[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001074109754 1219684922 /nfs/dbraw/zinc/68/49/22/1219684922.db2.gz LHZQVIOJOJEINE-ZIAGYGMSSA-N 1 2 362.434 0.873 20 5 FCBDLO COCC[NH+]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000781968694 1221119529 /nfs/dbraw/zinc/11/95/29/1221119529.db2.gz GPGWPPIZDHORPG-MRXNPFEDSA-N 1 2 362.386 0.878 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)O[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000782233873 1221136685 /nfs/dbraw/zinc/13/66/85/1221136685.db2.gz LYHSLDUKKMULKH-ZDUSSCGKSA-N 1 2 365.386 0.897 20 5 FCBDLO NC(=O)NCCOCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000839022645 1222697091 /nfs/dbraw/zinc/69/70/91/1222697091.db2.gz YHEBFKBETYIXAH-UHFFFAOYSA-N 1 2 363.330 0.622 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000840485038 1222788314 /nfs/dbraw/zinc/78/83/14/1222788314.db2.gz XSFBQUGHRBRQEU-MRXNPFEDSA-N 1 2 367.402 0.434 20 5 FCBDLO Nc1cc([N+](=O)[O-])cnc1N1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001154659576 1223015133 /nfs/dbraw/zinc/01/51/33/1223015133.db2.gz RPKNQYKCYDOSHJ-UHFFFAOYSA-N 1 2 355.402 0.978 20 5 FCBDLO COc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001160096956 1223145293 /nfs/dbraw/zinc/14/52/93/1223145293.db2.gz CNICKAWSPQXQBL-HUUCEWRRSA-N 1 2 361.402 0.789 20 5 FCBDLO COc1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001160096956 1223145295 /nfs/dbraw/zinc/14/52/95/1223145295.db2.gz CNICKAWSPQXQBL-HUUCEWRRSA-N 1 2 361.402 0.789 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2nnc(C)o2)CC1 ZINC001162264437 1223212349 /nfs/dbraw/zinc/21/23/49/1223212349.db2.gz MHNJPJNLNCPRBO-CHWSQXEVSA-N 1 2 367.406 0.388 20 5 FCBDLO O=C(COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCNC1=O ZINC000849194314 1245393776 /nfs/dbraw/zinc/39/37/76/1245393776.db2.gz JGUUQVWMXOWGBF-UHFFFAOYSA-N 1 2 359.298 0.489 20 5 FCBDLO C[NH+](C)Cc1ccoc1C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941012662 1246429613 /nfs/dbraw/zinc/42/96/13/1246429613.db2.gz ILXOKQGLPCUTBZ-ZIAGYGMSSA-N 1 2 364.402 0.681 20 5 FCBDLO Cc1cn(C(C)(C)C(=O)NC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c[nH+]1 ZINC000946703436 1247962738 /nfs/dbraw/zinc/96/27/38/1247962738.db2.gz ZLRLGUOIBASQSM-ZIAGYGMSSA-N 1 2 363.418 0.699 20 5 FCBDLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CCCCCCC1 ZINC001031662583 1253880386 /nfs/dbraw/zinc/88/03/86/1253880386.db2.gz ILZGSBPXDJLQFB-HZPDHXFCSA-N 1 2 366.462 0.929 20 5 FCBDLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730702 1254135122 /nfs/dbraw/zinc/13/51/22/1254135122.db2.gz VVYVQSHEJFMFHW-KBUPBQIOSA-N 1 2 363.418 0.730 20 5 FCBDLO Cn1cc[nH+]c1CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001520836823 1266018060 /nfs/dbraw/zinc/01/80/60/1266018060.db2.gz KTYKRBRQRCRVRU-UHFFFAOYSA-N 1 2 359.342 0.413 20 5 FCBDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC001261491982 1260148579 /nfs/dbraw/zinc/14/85/79/1260148579.db2.gz MYXOOIDYYAMMBP-CYBMUJFWSA-N 1 2 367.358 0.346 20 5 FCBDLO CN(CCNC(=O)Cn1cc[nH+]c1)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591097659 1284168014 /nfs/dbraw/zinc/16/80/14/1284168014.db2.gz HAUMYLPEXMPVEN-UHFFFAOYSA-N 1 2 371.361 0.224 20 5 FCBDLO C[NH+]1CCN(CC2CN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)CC1 ZINC001591192352 1284310948 /nfs/dbraw/zinc/31/09/48/1284310948.db2.gz GLLPZRSFFCAQKP-UHFFFAOYSA-N 1 2 358.406 0.459 20 5 FCBDLO C[NH+]1CCN(CCCNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 ZINC001591192261 1284311177 /nfs/dbraw/zinc/31/11/77/1284311177.db2.gz BRKOQSJYLHQRJC-UHFFFAOYSA-N 1 2 352.424 0.886 20 5 FCBDLO CN1CC[NH+](CCCNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 ZINC001591192261 1284311185 /nfs/dbraw/zinc/31/11/85/1284311185.db2.gz BRKOQSJYLHQRJC-UHFFFAOYSA-N 1 2 352.424 0.886 20 5 FCBDLO CN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604764674 1287771358 /nfs/dbraw/zinc/77/13/58/1287771358.db2.gz JBJPAEFQQAHQTA-UHFFFAOYSA-N 1 2 371.361 0.293 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001593465778 1286170086 /nfs/dbraw/zinc/17/00/86/1286170086.db2.gz FUXOFLALSCIXQR-GFCCVEGCSA-N 1 2 374.405 0.719 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001593469937 1286172492 /nfs/dbraw/zinc/17/24/92/1286172492.db2.gz DMSPLJQKLFHRRA-UHFFFAOYSA-N 1 2 361.362 0.636 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC001593469937 1286172494 /nfs/dbraw/zinc/17/24/94/1286172494.db2.gz DMSPLJQKLFHRRA-UHFFFAOYSA-N 1 2 361.362 0.636 20 5 FCBDLO O=C1OCC[C@H]1[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001607054120 1288624575 /nfs/dbraw/zinc/62/45/75/1288624575.db2.gz BXLPBXBLAPXTDD-CYBMUJFWSA-N 1 2 373.373 0.967 20 5 FCBDLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC001692304226 1289446537 /nfs/dbraw/zinc/44/65/37/1289446537.db2.gz GPQCXUXNODGBRA-ZIAGYGMSSA-N 1 2 350.419 0.004 20 5 FCBDLO CN(Cc1ccsc1)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690939529 1294894952 /nfs/dbraw/zinc/89/49/52/1294894952.db2.gz CBOMWUVDNOYMOD-CHWSQXEVSA-N 1 2 354.432 0.420 20 5 FCBDLO CN(Cc1ccsc1)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690939529 1294894961 /nfs/dbraw/zinc/89/49/61/1294894961.db2.gz CBOMWUVDNOYMOD-CHWSQXEVSA-N 1 2 354.432 0.420 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746466113 836184289 /nfs/dbraw/zinc/18/42/89/836184289.db2.gz BMQPEEQQRNJUOQ-VWLOTQADSA-N 1 2 368.459 0.838 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH+](CCO)CC1 ZINC000746715138 836196806 /nfs/dbraw/zinc/19/68/06/836196806.db2.gz CYMBVJOQBXPQBG-UHFFFAOYSA-N 1 2 354.319 0.404 20 5 FCBDLO CC(C)(C)c1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC001086083255 842118320 /nfs/dbraw/zinc/11/83/20/842118320.db2.gz SAZHYWKFBZFUJK-WRWGMCAJSA-N 1 2 350.423 0.752 20 5 FCBDLO Cc1nc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001098365684 843910925 /nfs/dbraw/zinc/91/09/25/843910925.db2.gz PPHIVAIWPLSBMX-HUUCEWRRSA-N 1 2 352.391 0.434 20 5 FCBDLO Cc1nc(C[N@@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001098365684 843910927 /nfs/dbraw/zinc/91/09/27/843910927.db2.gz PPHIVAIWPLSBMX-HUUCEWRRSA-N 1 2 352.391 0.434 20 5 FCBDLO Cc1sc2nc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[nH]c(=O)c2c1C ZINC001126936263 848713424 /nfs/dbraw/zinc/71/34/24/848713424.db2.gz DEZXDJKAAGVRKL-NXEZZACHSA-N 1 2 365.415 0.885 20 5 FCBDLO COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccon2)CC1 ZINC001151122048 849677505 /nfs/dbraw/zinc/67/75/05/849677505.db2.gz WOWJRIIJRNCVMC-ZIAGYGMSSA-N 1 2 352.391 0.827 20 5 FCBDLO COc1nc(NS(=O)(=O)c2ccc(C[NH3+])cc2)nc(C)c1[N+](=O)[O-] ZINC001161747097 850280312 /nfs/dbraw/zinc/28/03/12/850280312.db2.gz ZXWWNKQHPZFQOP-UHFFFAOYSA-N 1 2 353.360 0.961 20 5 FCBDLO COCc1noc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001164490716 850414204 /nfs/dbraw/zinc/41/42/04/850414204.db2.gz SZTSCMQZTWFMBV-GHMZBOCLSA-N 1 2 353.379 0.257 20 5 FCBDLO CC(C)(C)NC(=O)NCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761126 852823137 /nfs/dbraw/zinc/82/31/37/852823137.db2.gz JYPDIISILHWASY-CHWSQXEVSA-N 1 2 355.439 0.284 20 5 FCBDLO CC(C)(C)NC(=O)NCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761126 852823142 /nfs/dbraw/zinc/82/31/42/852823142.db2.gz JYPDIISILHWASY-CHWSQXEVSA-N 1 2 355.439 0.284 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308059846 866696460 /nfs/dbraw/zinc/69/64/60/866696460.db2.gz PJHZMHAKAWRNFW-LBPRGKRZSA-N 1 2 370.431 0.713 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001308059846 866696468 /nfs/dbraw/zinc/69/64/68/866696468.db2.gz PJHZMHAKAWRNFW-LBPRGKRZSA-N 1 2 370.431 0.713 20 5 FCBDLO CCCn1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1 ZINC001308259390 866710113 /nfs/dbraw/zinc/71/01/13/866710113.db2.gz WCCWKXMXTCNWGS-UHFFFAOYSA-N 1 2 368.419 0.664 20 5 FCBDLO CC(C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820021116 945330856 /nfs/dbraw/zinc/33/08/56/945330856.db2.gz PKGGRPWPGHCLMA-GFCCVEGCSA-N 1 2 362.394 0.939 20 5 FCBDLO CC(C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000820021117 945331936 /nfs/dbraw/zinc/33/19/36/945331936.db2.gz PKGGRPWPGHCLMA-LBPRGKRZSA-N 1 2 362.394 0.939 20 5 FCBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000293079832 214143109 /nfs/dbraw/zinc/14/31/09/214143109.db2.gz JPFPXCHXVXOAML-AWEZNQCLSA-N 1 2 359.386 0.610 20 5 FCBDLO COc1nccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000294979497 214273633 /nfs/dbraw/zinc/27/36/33/214273633.db2.gz GBULBKATFHJRBO-UHFFFAOYSA-N 1 2 352.372 0.957 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])n1 ZINC000331579452 215018459 /nfs/dbraw/zinc/01/84/59/215018459.db2.gz MNINNECSAVUDIC-JTQLQIEISA-N 1 2 354.392 0.723 20 5 FCBDLO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCN(C)CC1 ZINC000332420606 215149743 /nfs/dbraw/zinc/14/97/43/215149743.db2.gz WHKWFFSQVLWJCK-ZDUSSCGKSA-N 1 2 350.423 0.591 20 5 FCBDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000360554218 215363578 /nfs/dbraw/zinc/36/35/78/215363578.db2.gz FAALSYLSSPYEGL-CQSZACIVSA-N 1 2 362.386 0.258 20 5 FCBDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342208 213326344 /nfs/dbraw/zinc/32/63/44/213326344.db2.gz OWLRZSOLAIMAAQ-TZMCWYRMSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342208 213326345 /nfs/dbraw/zinc/32/63/45/213326345.db2.gz OWLRZSOLAIMAAQ-TZMCWYRMSA-N 1 2 369.443 0.761 20 5 FCBDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000284713804 213204077 /nfs/dbraw/zinc/20/40/77/213204077.db2.gz JFACQSNYGRAEHR-UHFFFAOYSA-N 1 2 365.415 0.758 20 5 FCBDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000284713804 213204081 /nfs/dbraw/zinc/20/40/81/213204081.db2.gz JFACQSNYGRAEHR-UHFFFAOYSA-N 1 2 365.415 0.758 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000284515337 213157684 /nfs/dbraw/zinc/15/76/84/213157684.db2.gz ODNBBNOPUOVMSR-ZIAGYGMSSA-N 1 2 351.407 0.730 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000284515337 213157687 /nfs/dbraw/zinc/15/76/87/213157687.db2.gz ODNBBNOPUOVMSR-ZIAGYGMSSA-N 1 2 351.407 0.730 20 5 FCBDLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000283924547 213036113 /nfs/dbraw/zinc/03/61/13/213036113.db2.gz LSODZUQBBYETOK-UHFFFAOYSA-N 1 2 372.385 0.256 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000367128811 216079010 /nfs/dbraw/zinc/07/90/10/216079010.db2.gz HPSGVXJUHJBLGD-UHFFFAOYSA-N 1 2 356.404 0.595 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000189707323 209257148 /nfs/dbraw/zinc/25/71/48/209257148.db2.gz ROFVRRZOVYKFBP-LBPRGKRZSA-N 1 2 360.374 0.314 20 5 FCBDLO CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000187144211 209206412 /nfs/dbraw/zinc/20/64/12/209206412.db2.gz WDDQFKRVWIYUCT-CQSZACIVSA-N 1 2 351.407 0.697 20 5 FCBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000276374852 212221404 /nfs/dbraw/zinc/22/14/04/212221404.db2.gz PAEMRFSNCQCQHA-UHFFFAOYSA-N 1 2 360.374 0.958 20 5 FCBDLO O=C(NCC[NH+]1CCOCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000276191230 212181534 /nfs/dbraw/zinc/18/15/34/212181534.db2.gz ZYCJDDNTQXEZEJ-UHFFFAOYSA-N 1 2 350.375 0.700 20 5 FCBDLO CO[C@H](C)CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000276098494 212158991 /nfs/dbraw/zinc/15/89/91/212158991.db2.gz XNZRRVXATWPOKO-GFCCVEGCSA-N 1 2 372.447 0.978 20 5 FCBDLO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000276053502 212148099 /nfs/dbraw/zinc/14/80/99/212148099.db2.gz JFOQDJMQRDUXAT-UHFFFAOYSA-N 1 2 370.431 0.209 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275927108 212121860 /nfs/dbraw/zinc/12/18/60/212121860.db2.gz VEPDQOUANGDPIT-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000275927108 212121865 /nfs/dbraw/zinc/12/18/65/212121865.db2.gz VEPDQOUANGDPIT-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000275863898 212106239 /nfs/dbraw/zinc/10/62/39/212106239.db2.gz ZTJNRLXFJSFNQP-UHFFFAOYSA-N 1 2 370.793 0.977 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275874572 212108963 /nfs/dbraw/zinc/10/89/63/212108963.db2.gz KVZDAVKDBXVWDN-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275874572 212108965 /nfs/dbraw/zinc/10/89/65/212108965.db2.gz KVZDAVKDBXVWDN-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000182407748 209130440 /nfs/dbraw/zinc/13/04/40/209130440.db2.gz BUVIGLJOLGRYPR-CYBMUJFWSA-N 1 2 357.432 0.980 20 5 FCBDLO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000441349175 248249651 /nfs/dbraw/zinc/24/96/51/248249651.db2.gz DUOCSCCMBSOTIK-CMPLNLGQSA-N 1 2 354.367 0.765 20 5 FCBDLO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000441349175 248249653 /nfs/dbraw/zinc/24/96/53/248249653.db2.gz DUOCSCCMBSOTIK-CMPLNLGQSA-N 1 2 354.367 0.765 20 5 FCBDLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000440652929 248200402 /nfs/dbraw/zinc/20/04/02/248200402.db2.gz YZRSTDLQKMIAKF-GFCCVEGCSA-N 1 2 367.387 0.898 20 5 FCBDLO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000440652929 248200405 /nfs/dbraw/zinc/20/04/05/248200405.db2.gz YZRSTDLQKMIAKF-GFCCVEGCSA-N 1 2 367.387 0.898 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000443214729 248311632 /nfs/dbraw/zinc/31/16/32/248311632.db2.gz LPUUBHISAWRORD-UHFFFAOYSA-N 1 2 373.431 0.681 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000444214414 248352013 /nfs/dbraw/zinc/35/20/13/248352013.db2.gz PLDYYUCGJBGLIS-GFCCVEGCSA-N 1 2 357.432 0.899 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000444383031 248357830 /nfs/dbraw/zinc/35/78/30/248357830.db2.gz PYRFDWCYNAWOGK-GFCCVEGCSA-N 1 2 369.443 0.818 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271340987 211385100 /nfs/dbraw/zinc/38/51/00/211385100.db2.gz NFHCUUZNCMMTNA-BXUZGUMPSA-N 1 2 370.431 0.935 20 5 FCBDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271340987 211385104 /nfs/dbraw/zinc/38/51/04/211385104.db2.gz NFHCUUZNCMMTNA-BXUZGUMPSA-N 1 2 370.431 0.935 20 5 FCBDLO 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CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470955657 250083478 /nfs/dbraw/zinc/08/34/78/250083478.db2.gz NKXHVDBUXOOZPG-UHFFFAOYSA-N 1 2 363.418 0.805 20 5 FCBDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000472629245 250170162 /nfs/dbraw/zinc/17/01/62/250170162.db2.gz UFVHTKYOOMQWST-WDEREUQCSA-N 1 2 368.365 0.898 20 5 FCBDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000269766856 211071526 /nfs/dbraw/zinc/07/15/26/211071526.db2.gz DPWBYMWWEKURLW-GFCCVEGCSA-N 1 2 373.431 0.681 20 5 FCBDLO Cn1[nH]c(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1=O ZINC000481182677 250322165 /nfs/dbraw/zinc/32/21/65/250322165.db2.gz PSJJBOCESKNQOJ-UHFFFAOYSA-N 1 2 372.389 0.605 20 5 FCBDLO Cn1[nH]c(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1=O ZINC000481182677 250322170 /nfs/dbraw/zinc/32/21/70/250322170.db2.gz PSJJBOCESKNQOJ-UHFFFAOYSA-N 1 2 372.389 0.605 20 5 FCBDLO 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614854070 492060202 /nfs/dbraw/zinc/06/02/02/492060202.db2.gz NXNVEAOCNUNZIZ-UHFFFAOYSA-N 1 2 357.432 0.980 20 5 FCBDLO CC1(C)CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614920727 492063749 /nfs/dbraw/zinc/06/37/49/492063749.db2.gz PCLYGDRISOYLCX-UHFFFAOYSA-N 1 2 371.459 0.757 20 5 FCBDLO CC1(C)CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614920727 492063751 /nfs/dbraw/zinc/06/37/51/492063751.db2.gz PCLYGDRISOYLCX-UHFFFAOYSA-N 1 2 371.459 0.757 20 5 FCBDLO C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000598463793 492100309 /nfs/dbraw/zinc/10/03/09/492100309.db2.gz CJEPQHOPZHKDGM-SNVBAGLBSA-N 1 2 367.387 0.484 20 5 FCBDLO CC1(C)COCC[N@@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598593065 492106274 /nfs/dbraw/zinc/10/62/74/492106274.db2.gz OWXCITQOPAAXSI-UHFFFAOYSA-N 1 2 366.422 0.744 20 5 FCBDLO CC1(C)COCC[N@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598593065 492106277 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OILFRXVLYULXHF-KRWDZBQOSA-N 1 2 369.385 0.861 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599619844 492194300 /nfs/dbraw/zinc/19/43/00/492194300.db2.gz WAUJSIUEDOFEKH-UHFFFAOYSA-N 1 2 352.366 0.904 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599619844 492194302 /nfs/dbraw/zinc/19/43/02/492194302.db2.gz WAUJSIUEDOFEKH-UHFFFAOYSA-N 1 2 352.366 0.904 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000609178111 492199746 /nfs/dbraw/zinc/19/97/46/492199746.db2.gz HORKLVDOZNARLL-QWHCGFSZSA-N 1 2 364.402 0.550 20 5 FCBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000609178111 492199748 /nfs/dbraw/zinc/19/97/48/492199748.db2.gz HORKLVDOZNARLL-QWHCGFSZSA-N 1 2 364.402 0.550 20 5 FCBDLO O=C(NCC(=O)N1CCc2[nH]c[nH+]c2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000599951252 492221044 /nfs/dbraw/zinc/22/10/44/492221044.db2.gz CIPZIAZRWZBWPN-UHFFFAOYSA-N 1 2 358.358 0.702 20 5 FCBDLO O=C(NCC(=O)N1CCc2[nH+]c[nH]c2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000599951252 492221046 /nfs/dbraw/zinc/22/10/46/492221046.db2.gz CIPZIAZRWZBWPN-UHFFFAOYSA-N 1 2 358.358 0.702 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000611169823 492280445 /nfs/dbraw/zinc/28/04/45/492280445.db2.gz NSPHXMXCNBZPDU-ZDUSSCGKSA-N 1 2 354.432 0.937 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287472 492284288 /nfs/dbraw/zinc/28/42/88/492284288.db2.gz ODYVQQDRXJKIRK-LLVKDONJSA-N 1 2 357.388 0.490 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287472 492284289 /nfs/dbraw/zinc/28/42/89/492284289.db2.gz ODYVQQDRXJKIRK-LLVKDONJSA-N 1 2 357.388 0.490 20 5 FCBDLO CCc1n[nH]c(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000444148744 536003144 /nfs/dbraw/zinc/00/31/44/536003144.db2.gz UPLVJNJABGHXNL-UHFFFAOYSA-N 1 2 351.367 0.990 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000592207258 546946404 /nfs/dbraw/zinc/94/64/04/546946404.db2.gz JIZDQWCSEOJLDM-FZMZJTMJSA-N 1 2 352.343 0.817 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000592207258 546946407 /nfs/dbraw/zinc/94/64/07/546946407.db2.gz JIZDQWCSEOJLDM-FZMZJTMJSA-N 1 2 352.343 0.817 20 5 FCBDLO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826034676 607594126 /nfs/dbraw/zinc/59/41/26/607594126.db2.gz VLKDPPMEYYPMRJ-VIFPVBQESA-N 1 2 367.391 0.147 20 5 FCBDLO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826034676 607594127 /nfs/dbraw/zinc/59/41/27/607594127.db2.gz VLKDPPMEYYPMRJ-VIFPVBQESA-N 1 2 367.391 0.147 20 5 FCBDLO C[NH+]1CCN(CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821627027 606698077 /nfs/dbraw/zinc/69/80/77/606698077.db2.gz JXLQYXYLBFGHNE-UHFFFAOYSA-N 1 2 361.410 0.609 20 5 FCBDLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000981136884 664813879 /nfs/dbraw/zinc/81/38/79/664813879.db2.gz KFSXYBUDTYATJJ-HUUCEWRRSA-N 1 2 352.435 0.589 20 5 FCBDLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000981136884 664813880 /nfs/dbraw/zinc/81/38/80/664813880.db2.gz KFSXYBUDTYATJJ-HUUCEWRRSA-N 1 2 352.435 0.589 20 5 FCBDLO COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406328 668059527 /nfs/dbraw/zinc/05/95/27/668059527.db2.gz CHZJTVIXJALKIY-CYBMUJFWSA-N 1 2 372.447 0.927 20 5 FCBDLO COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406328 668059528 /nfs/dbraw/zinc/05/95/28/668059528.db2.gz CHZJTVIXJALKIY-CYBMUJFWSA-N 1 2 372.447 0.927 20 5 FCBDLO CC[NH2+]Cc1noc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000843140789 670777270 /nfs/dbraw/zinc/77/72/70/670777270.db2.gz DHNRKQCLVBICSX-UHFFFAOYSA-N 1 2 355.376 0.908 20 5 FCBDLO Cc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000857984192 671747732 /nfs/dbraw/zinc/74/77/32/671747732.db2.gz HJUPZHQVGDIARR-LLVKDONJSA-N 1 2 365.371 0.622 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nncn3-c3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775473 1182831361 /nfs/dbraw/zinc/83/13/61/1182831361.db2.gz CBQMBVWTFXQPBZ-GAGVYUBLSA-N 1 2 368.397 0.479 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nncn3-c3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775473 1182831362 /nfs/dbraw/zinc/83/13/62/1182831362.db2.gz CBQMBVWTFXQPBZ-GAGVYUBLSA-N 1 2 368.397 0.479 20 5 FCBDLO O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2c[nH+]ccc2[nH]1 ZINC000978799727 1186006922 /nfs/dbraw/zinc/00/69/22/1186006922.db2.gz MCYAINDPQDNFJU-JDTTZNEISA-N 1 2 357.370 0.853 20 5 FCBDLO CNC(=O)c1cccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981138619 1186329485 /nfs/dbraw/zinc/32/94/85/1186329485.db2.gz WEIIIOWULWKCNV-HZPDHXFCSA-N 1 2 360.414 0.746 20 5 FCBDLO CNC(=O)c1cccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000981138619 1186329491 /nfs/dbraw/zinc/32/94/91/1186329491.db2.gz WEIIIOWULWKCNV-HZPDHXFCSA-N 1 2 360.414 0.746 20 5 FCBDLO C[C@@](O)(CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[NH+]1CCOCC1 ZINC000433405296 1187593350 /nfs/dbraw/zinc/59/33/50/1187593350.db2.gz ZZIBWCKQSTYXMC-MRXNPFEDSA-N 1 2 363.374 1.140 20 5 FCBDLO COCc1noc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964605 1191036057 /nfs/dbraw/zinc/03/60/57/1191036057.db2.gz QQXLJZMPWUDXLD-CHWSQXEVSA-N 1 2 367.406 0.552 20 5 FCBDLO COCc1noc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964605 1191036060 /nfs/dbraw/zinc/03/60/60/1191036060.db2.gz QQXLJZMPWUDXLD-CHWSQXEVSA-N 1 2 367.406 0.552 20 5 FCBDLO CCCn1nnnc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964432 1191036582 /nfs/dbraw/zinc/03/65/82/1191036582.db2.gz HZLNOPGISCBAIZ-ZIAGYGMSSA-N 1 2 365.438 0.419 20 5 FCBDLO CCCn1nnnc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964432 1191036587 /nfs/dbraw/zinc/03/65/87/1191036587.db2.gz HZLNOPGISCBAIZ-ZIAGYGMSSA-N 1 2 365.438 0.419 20 5 FCBDLO COc1cccc(-c2noc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)c1 ZINC001126938525 1194626085 /nfs/dbraw/zinc/62/60/85/1194626085.db2.gz CKRHYCBWMGBTNE-CHWSQXEVSA-N 1 2 361.358 0.616 20 5 FCBDLO COc1ccc(-c2noc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC001126943779 1194956837 /nfs/dbraw/zinc/95/68/37/1194956837.db2.gz WVXFEBPGDCYUKB-CHWSQXEVSA-N 1 2 361.358 0.616 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000787137504 1200867261 /nfs/dbraw/zinc/86/72/61/1200867261.db2.gz IXEGKUCWASCJSI-ZDUSSCGKSA-N 1 2 366.422 0.859 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000787137504 1200867263 /nfs/dbraw/zinc/86/72/63/1200867263.db2.gz IXEGKUCWASCJSI-ZDUSSCGKSA-N 1 2 366.422 0.859 20 5 FCBDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000805479571 1202991762 /nfs/dbraw/zinc/99/17/62/1202991762.db2.gz ROIOCSRVWVUYLY-HNNXBMFYSA-N 1 2 363.370 0.748 20 5 FCBDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000805479571 1202991764 /nfs/dbraw/zinc/99/17/64/1202991764.db2.gz ROIOCSRVWVUYLY-HNNXBMFYSA-N 1 2 363.370 0.748 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824914803 1203305076 /nfs/dbraw/zinc/30/50/76/1203305076.db2.gz ZOCSAEAPQKTWTR-MRXNPFEDSA-N 1 2 364.402 0.299 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000824914803 1203305078 /nfs/dbraw/zinc/30/50/78/1203305078.db2.gz ZOCSAEAPQKTWTR-MRXNPFEDSA-N 1 2 364.402 0.299 20 5 FCBDLO COCCc1nc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 ZINC001178463277 1206357578 /nfs/dbraw/zinc/35/75/78/1206357578.db2.gz CPUJXVZEGDJHMG-CHWSQXEVSA-N 1 2 369.422 0.690 20 5 FCBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000546267690 1211431702 /nfs/dbraw/zinc/43/17/02/1211431702.db2.gz HNTRQWBKQLHQIZ-UHFFFAOYSA-N 1 2 365.386 0.600 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000969003490 1212221582 /nfs/dbraw/zinc/22/15/82/1212221582.db2.gz JWKIZGMIKWSKBR-LXTVHRRPSA-N 1 2 361.402 0.220 20 5 FCBDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000954096512 1213039740 /nfs/dbraw/zinc/03/97/40/1213039740.db2.gz RSPLDYQSSBZCRE-CHWSQXEVSA-N 1 2 363.418 0.802 20 5 FCBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954790810 1213111072 /nfs/dbraw/zinc/11/10/72/1213111072.db2.gz FWECZWFRKVZQEM-UKRRQHHQSA-N 1 2 370.369 0.215 20 5 FCBDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001014000254 1213916535 /nfs/dbraw/zinc/91/65/35/1213916535.db2.gz KOBZHHKPGMXZOT-CCUZLIGHSA-N 1 2 361.402 0.469 20 5 FCBDLO O=C(Cn1cc[nH+]c1)N1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001017158859 1214078111 /nfs/dbraw/zinc/07/81/11/1214078111.db2.gz CCQUACKCNPFDAF-ZIAGYGMSSA-N 1 2 361.402 0.436 20 5 FCBDLO CCn1ncc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)n1 ZINC001040699384 1214567583 /nfs/dbraw/zinc/56/75/83/1214567583.db2.gz CEQUALJGWBTJBR-HUUCEWRRSA-N 1 2 362.434 0.778 20 5 FCBDLO CCC1(NC(=O)Cc2[nH]c[nH+]c2C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069367853 1216785497 /nfs/dbraw/zinc/78/54/97/1216785497.db2.gz DQAOJJSVKIQHOR-TZMCWYRMSA-N 1 2 363.418 0.813 20 5 FCBDLO CCCCc1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814287 1218318587 /nfs/dbraw/zinc/31/85/87/1218318587.db2.gz CIRAKNUDMQFJEV-XJFOESAGSA-N 1 2 363.418 0.968 20 5 FCBDLO CCCCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814287 1218318592 /nfs/dbraw/zinc/31/85/92/1218318592.db2.gz CIRAKNUDMQFJEV-XJFOESAGSA-N 1 2 363.418 0.968 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1noc3c1COCC3)C2 ZINC001072724770 1219620608 /nfs/dbraw/zinc/62/06/08/1219620608.db2.gz FDQXURIYSAVQRK-BXUZGUMPSA-N 1 2 362.386 0.447 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1noc3c1COCC3)C2 ZINC001072724770 1219620611 /nfs/dbraw/zinc/62/06/11/1219620611.db2.gz FDQXURIYSAVQRK-BXUZGUMPSA-N 1 2 362.386 0.447 20 5 FCBDLO CC(=O)N1CC[C@H](C[N@@H+](C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000754778169 1220121400 /nfs/dbraw/zinc/12/14/00/1220121400.db2.gz MRPHOKFJWCMDBA-GFCCVEGCSA-N 1 2 360.370 0.949 20 5 FCBDLO CC(=O)N1CC[C@H](C[N@H+](C)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000754778169 1220121403 /nfs/dbraw/zinc/12/14/03/1220121403.db2.gz MRPHOKFJWCMDBA-GFCCVEGCSA-N 1 2 360.370 0.949 20 5 FCBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781637499 1221087051 /nfs/dbraw/zinc/08/70/51/1221087051.db2.gz WJMYZQSHIXABJL-AWEZNQCLSA-N 1 2 365.390 0.798 20 5 FCBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000781637499 1221087054 /nfs/dbraw/zinc/08/70/54/1221087054.db2.gz WJMYZQSHIXABJL-AWEZNQCLSA-N 1 2 365.390 0.798 20 5 FCBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001117118077 1221470236 /nfs/dbraw/zinc/47/02/36/1221470236.db2.gz DSRUAYMGLPPYML-ZDUSSCGKSA-N 1 2 357.370 0.581 20 5 FCBDLO CCc1[nH]c(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c[nH+]1 ZINC001156538367 1223058263 /nfs/dbraw/zinc/05/82/63/1223058263.db2.gz SFWKNHQPYIAISS-UHFFFAOYSA-N 1 2 357.326 0.793 20 5 FCBDLO CCc1[nH]cc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[nH+]1 ZINC001156538367 1223058265 /nfs/dbraw/zinc/05/82/65/1223058265.db2.gz SFWKNHQPYIAISS-UHFFFAOYSA-N 1 2 357.326 0.793 20 5 FCBDLO O=C(NCCC[NH2+]Cc1nc(Cc2ccccc2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775652 1223082485 /nfs/dbraw/zinc/08/24/85/1223082485.db2.gz ULZZZPWIKRYMIW-ZIAGYGMSSA-N 1 2 359.386 0.922 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ncccn2)CC1 ZINC001162264868 1223211805 /nfs/dbraw/zinc/21/18/05/1223211805.db2.gz YAMJQBONBXSGOA-ZIAGYGMSSA-N 1 2 363.418 0.487 20 5 FCBDLO COC(=O)COc1c(C)cc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC001164311660 1223237479 /nfs/dbraw/zinc/23/74/79/1223237479.db2.gz CPJOYLBRIAVJEN-RYUDHWBXSA-N 1 2 367.358 0.770 20 5 FCBDLO C[NH+](C)Cc1ccoc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000946705616 1247961278 /nfs/dbraw/zinc/96/12/78/1247961278.db2.gz KMMZIEAGKJHKOX-ZIAGYGMSSA-N 1 2 364.402 0.727 20 5 FCBDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001001806235 1252352732 /nfs/dbraw/zinc/35/27/32/1252352732.db2.gz UGNADNXIJGKTAO-ZIAGYGMSSA-N 1 2 361.402 0.002 20 5 FCBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303338592 1263092972 /nfs/dbraw/zinc/09/29/72/1263092972.db2.gz OIUWMWIMVCUBAO-AWEZNQCLSA-N 1 2 364.402 0.552 20 5 FCBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303338592 1263092984 /nfs/dbraw/zinc/09/29/84/1263092984.db2.gz OIUWMWIMVCUBAO-AWEZNQCLSA-N 1 2 364.402 0.552 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001323407999 1264423931 /nfs/dbraw/zinc/42/39/31/1264423931.db2.gz GZQNDMVLAOKSIM-ZDUSSCGKSA-N 1 2 364.402 0.563 20 5 FCBDLO COc1ccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC001323464040 1264435499 /nfs/dbraw/zinc/43/54/99/1264435499.db2.gz PXFSKDZWDQJZDN-GFCCVEGCSA-N 1 2 373.369 0.547 20 5 FCBDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)[C@H](C)C[NH2+]1 ZINC001590311663 1283455510 /nfs/dbraw/zinc/45/55/10/1283455510.db2.gz DSPHJLOYXOBYGF-RKDXNWHRSA-N 1 2 367.391 0.146 20 5 FCBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591096037 1284165680 /nfs/dbraw/zinc/16/56/80/1284165680.db2.gz JULXAYMYTRSBHY-UHFFFAOYSA-N 1 2 362.394 0.717 20 5 FCBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591096037 1284165683 /nfs/dbraw/zinc/16/56/83/1284165683.db2.gz JULXAYMYTRSBHY-UHFFFAOYSA-N 1 2 362.394 0.717 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001592747240 1285667131 /nfs/dbraw/zinc/66/71/31/1285667131.db2.gz WXIJLYHWAWAOOG-SECBINFHSA-N 1 2 367.391 0.028 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001592747240 1285667140 /nfs/dbraw/zinc/66/71/40/1285667140.db2.gz WXIJLYHWAWAOOG-SECBINFHSA-N 1 2 367.391 0.028 20 5 FCBDLO O=[N+]([O-])c1c(NCC[N@@H+]2CCC3(C2)OCCO3)cccc1-c1nn[nH]n1 ZINC001593465195 1286170688 /nfs/dbraw/zinc/17/06/88/1286170688.db2.gz ITONNEQTCOOZEZ-UHFFFAOYSA-N 1 2 361.362 0.636 20 5 FCBDLO O=[N+]([O-])c1c(NCC[N@H+]2CCC3(C2)OCCO3)cccc1-c1nn[nH]n1 ZINC001593465195 1286170692 /nfs/dbraw/zinc/17/06/92/1286170692.db2.gz ITONNEQTCOOZEZ-UHFFFAOYSA-N 1 2 361.362 0.636 20 5 FCBDLO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001593486878 1286176326 /nfs/dbraw/zinc/17/63/26/1286176326.db2.gz AACAFODPRFWUDV-SNVBAGLBSA-N 1 2 365.419 0.995 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001603051804 1287198772 /nfs/dbraw/zinc/19/87/72/1287198772.db2.gz XOXURYHOVKFSBI-UHFFFAOYSA-N 1 2 360.378 0.161 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)cccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001609599705 1289256647 /nfs/dbraw/zinc/25/66/47/1289256647.db2.gz WDRMRXXMVZJKAA-LBPRGKRZSA-N 1 2 359.390 0.933 20 5 FCBDLO O=C(NCC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753154384 1290620395 /nfs/dbraw/zinc/62/03/95/1290620395.db2.gz GURYWYNORWOLQS-ZIAGYGMSSA-N 1 2 361.402 0.805 20 5 FCBDLO O=C(NCC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753154384 1290620403 /nfs/dbraw/zinc/62/04/03/1290620403.db2.gz GURYWYNORWOLQS-ZIAGYGMSSA-N 1 2 361.402 0.805 20 5 FCBDLO CC(C)n1nccc1NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690939510 1294893224 /nfs/dbraw/zinc/89/32/24/1294893224.db2.gz BAVIBQORDGSLHF-VXGBXAGGSA-N 1 2 352.395 0.116 20 5 FCBDLO CC(C)n1nccc1NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690939510 1294893242 /nfs/dbraw/zinc/89/32/42/1294893242.db2.gz BAVIBQORDGSLHF-VXGBXAGGSA-N 1 2 352.395 0.116 20 5 FCBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1=O ZINC001164636915 719268138 /nfs/dbraw/zinc/26/81/38/719268138.db2.gz KNZVZIHNRVAHDH-UHFFFAOYSA-N 1 2 363.418 0.749 20 5 FCBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)C1=O ZINC001164636915 719268139 /nfs/dbraw/zinc/26/81/39/719268139.db2.gz KNZVZIHNRVAHDH-UHFFFAOYSA-N 1 2 363.418 0.749 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)cc1 ZINC000746168077 836164330 /nfs/dbraw/zinc/16/43/30/836164330.db2.gz RXAQKUCJTZTOKV-UHFFFAOYSA-N 1 2 354.432 0.752 20 5 FCBDLO O=C(NCC[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939229 848714999 /nfs/dbraw/zinc/71/49/99/848714999.db2.gz SVTMZQXJGIFYCT-ZIAGYGMSSA-N 1 2 364.793 0.792 20 5 FCBDLO O=C(C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001147505902 849583269 /nfs/dbraw/zinc/58/32/69/849583269.db2.gz AFHLIODMJBCFLO-ZIAGYGMSSA-N 1 2 350.419 0.102 20 5 FCBDLO O=C(C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)NCC1CCC1 ZINC001147505902 849583275 /nfs/dbraw/zinc/58/32/75/849583275.db2.gz AFHLIODMJBCFLO-ZIAGYGMSSA-N 1 2 350.419 0.102 20 5 FCBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001157773607 849992712 /nfs/dbraw/zinc/99/27/12/849992712.db2.gz PCNDZYWNZVUSNH-LBPRGKRZSA-N 1 2 352.347 0.460 20 5 FCBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001157773607 849992716 /nfs/dbraw/zinc/99/27/16/849992716.db2.gz PCNDZYWNZVUSNH-LBPRGKRZSA-N 1 2 352.347 0.460 20 5 FCBDLO CC(C)CNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107136 850153626 /nfs/dbraw/zinc/15/36/26/850153626.db2.gz JRBGAHQDZULVSS-HUUCEWRRSA-N 1 2 352.435 0.562 20 5 FCBDLO CS(=O)(=O)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107135 850153949 /nfs/dbraw/zinc/15/39/49/850153949.db2.gz JQYDKAHYJUJWAM-ZIAGYGMSSA-N 1 2 359.448 0.225 20 5 FCBDLO CS(=O)(=O)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107135 850153959 /nfs/dbraw/zinc/15/39/59/850153959.db2.gz JQYDKAHYJUJWAM-ZIAGYGMSSA-N 1 2 359.448 0.225 20 5 FCBDLO CCOc1nnc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001164497748 850415438 /nfs/dbraw/zinc/41/54/38/850415438.db2.gz ZGPJKPNNCLLBHO-GHMZBOCLSA-N 1 2 369.447 0.978 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1OC ZINC001169132248 850606919 /nfs/dbraw/zinc/60/69/19/850606919.db2.gz IRMXHDVJUFAKTJ-KCJUWKMLSA-N 1 2 353.331 0.705 20 5 FCBDLO CC(C)(C)CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227253193 857153037 /nfs/dbraw/zinc/15/30/37/857153037.db2.gz VKJGTJOTHRPKGG-ZIAGYGMSSA-N 1 2 354.451 0.785 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001318561851 867694414 /nfs/dbraw/zinc/69/44/14/867694414.db2.gz FAQWGIHCQVARRE-NSHDSACASA-N 1 2 354.794 0.857 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001318561851 867694427 /nfs/dbraw/zinc/69/44/27/867694427.db2.gz FAQWGIHCQVARRE-NSHDSACASA-N 1 2 354.794 0.857 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001327086360 870660699 /nfs/dbraw/zinc/66/06/99/870660699.db2.gz ATVUQTSQTJVNMF-AWEZNQCLSA-N 1 2 350.375 0.760 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC001329490852 872065090 /nfs/dbraw/zinc/06/50/90/872065090.db2.gz OUOPELCRQIXJLX-ZDUSSCGKSA-N 1 2 351.359 0.971 20 5 FCBDLO CN1CC[NH+](C2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC001329538985 872096060 /nfs/dbraw/zinc/09/60/60/872096060.db2.gz XFTQHKFGTTUODY-UHFFFAOYSA-N 1 2 369.447 0.390 20 5 FCBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292145804 214080990 /nfs/dbraw/zinc/08/09/90/214080990.db2.gz JUXVKUGIIYJKHZ-LLVKDONJSA-N 1 2 356.404 0.499 20 5 FCBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292145804 214080993 /nfs/dbraw/zinc/08/09/93/214080993.db2.gz JUXVKUGIIYJKHZ-LLVKDONJSA-N 1 2 356.404 0.499 20 5 FCBDLO COc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000294805410 214266335 /nfs/dbraw/zinc/26/63/35/214266335.db2.gz BNGJDHTXBZBTNF-LLVKDONJSA-N 1 2 371.365 0.508 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295238364 214286619 /nfs/dbraw/zinc/28/66/19/214286619.db2.gz DKGIJIJFMULZBU-UHFFFAOYSA-N 1 2 361.395 0.777 20 5 FCBDLO CN(C)[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)c1c[nH+]cn1C ZINC000296997087 214373677 /nfs/dbraw/zinc/37/36/77/214373677.db2.gz QOVPAVIWEVDOJN-OAHLLOKOSA-N 1 2 373.417 0.675 20 5 FCBDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000291249784 214022447 /nfs/dbraw/zinc/02/24/47/214022447.db2.gz YERPTRBQTFJPQX-DGCLKSJQSA-N 1 2 370.431 0.542 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000291169797 214018323 /nfs/dbraw/zinc/01/83/23/214018323.db2.gz NBKQPKBAMQGVGU-UHFFFAOYSA-N 1 2 369.374 0.646 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC(CF)C3)c([N+](=O)[O-])c2)CC1 ZINC000413512392 529775507 /nfs/dbraw/zinc/77/55/07/529775507.db2.gz XOYTWJQPWAFEPO-UHFFFAOYSA-N 1 2 372.422 0.937 20 5 FCBDLO CN(CC(=O)NCCn1cc[nH+]c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265546998 210164067 /nfs/dbraw/zinc/16/40/67/210164067.db2.gz LVKCNZVHCOMWEZ-UHFFFAOYSA-N 1 2 367.387 0.228 20 5 FCBDLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265344265 210102505 /nfs/dbraw/zinc/10/25/05/210102505.db2.gz ZIWVXPOWVTXWRP-LBPRGKRZSA-N 1 2 368.415 0.107 20 5 FCBDLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265344265 210102508 /nfs/dbraw/zinc/10/25/08/210102508.db2.gz ZIWVXPOWVTXWRP-LBPRGKRZSA-N 1 2 368.415 0.107 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000331947564 215070198 /nfs/dbraw/zinc/07/01/98/215070198.db2.gz NTABIPRJUCPKJN-LSDHHAIUSA-N 1 2 362.386 0.174 20 5 FCBDLO Cc1cc(C(=O)NCC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000331947564 215070200 /nfs/dbraw/zinc/07/02/00/215070200.db2.gz NTABIPRJUCPKJN-LSDHHAIUSA-N 1 2 362.386 0.174 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265028393 210040167 /nfs/dbraw/zinc/04/01/67/210040167.db2.gz KPGYBZPJEYFTGE-NWDGAFQWSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265028393 210040171 /nfs/dbraw/zinc/04/01/71/210040171.db2.gz KPGYBZPJEYFTGE-NWDGAFQWSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000332134412 215099619 /nfs/dbraw/zinc/09/96/19/215099619.db2.gz LPNXBDMNROEILM-JSGCOSHPSA-N 1 2 351.407 0.706 20 5 FCBDLO C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264905359 210012777 /nfs/dbraw/zinc/01/27/77/210012777.db2.gz POFDAZIBEFHLFT-SNVBAGLBSA-N 1 2 352.372 0.943 20 5 FCBDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285439351 213341767 /nfs/dbraw/zinc/34/17/67/213341767.db2.gz CTFSSEYIPXEZFX-AWEZNQCLSA-N 1 2 359.386 0.991 20 5 FCBDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000283902802 213030596 /nfs/dbraw/zinc/03/05/96/213030596.db2.gz DAQABKLIOCZFGS-HUUCEWRRSA-N 1 2 362.386 0.256 20 5 FCBDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000283902802 213030600 /nfs/dbraw/zinc/03/06/00/213030600.db2.gz DAQABKLIOCZFGS-HUUCEWRRSA-N 1 2 362.386 0.256 20 5 FCBDLO COC(=O)C1(O)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000367454197 216125869 /nfs/dbraw/zinc/12/58/69/216125869.db2.gz MZCIJDCOTLXWPK-CQSZACIVSA-N 1 2 363.370 0.700 20 5 FCBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000368119895 216204532 /nfs/dbraw/zinc/20/45/32/216204532.db2.gz ZHHAETWRICRRKY-HOCLYGCPSA-N 1 2 359.386 0.634 20 5 FCBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000368119895 216204535 /nfs/dbraw/zinc/20/45/35/216204535.db2.gz ZHHAETWRICRRKY-HOCLYGCPSA-N 1 2 359.386 0.634 20 5 FCBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000195337201 209336353 /nfs/dbraw/zinc/33/63/53/209336353.db2.gz GYEVQMMKVBCDOR-UHFFFAOYSA-N 1 2 350.423 0.864 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000189360538 209248440 /nfs/dbraw/zinc/24/84/40/209248440.db2.gz XSUOJSOFTCAQCL-CYBMUJFWSA-N 1 2 357.432 0.367 20 5 FCBDLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000188220527 209225740 /nfs/dbraw/zinc/22/57/40/209225740.db2.gz NVQOZFMLVGCWJU-UHFFFAOYSA-N 1 2 356.386 0.926 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000276568128 212256536 /nfs/dbraw/zinc/25/65/36/212256536.db2.gz HYALTEJYDKVJMG-BXUZGUMPSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000276568128 212256539 /nfs/dbraw/zinc/25/65/39/212256539.db2.gz HYALTEJYDKVJMG-BXUZGUMPSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000276286127 212204526 /nfs/dbraw/zinc/20/45/26/212204526.db2.gz YTSRPVLFTVLDFN-UHFFFAOYSA-N 1 2 368.371 0.936 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275473122 212033324 /nfs/dbraw/zinc/03/33/24/212033324.db2.gz WFYKMAJNGBPRFJ-NSHDSACASA-N 1 2 359.404 0.291 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275431324 212026614 /nfs/dbraw/zinc/02/66/14/212026614.db2.gz FEKVEUYUMFQVAL-MFKMUULPSA-N 1 2 355.322 0.671 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275431324 212026617 /nfs/dbraw/zinc/02/66/17/212026617.db2.gz FEKVEUYUMFQVAL-MFKMUULPSA-N 1 2 355.322 0.671 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000184583658 209164835 /nfs/dbraw/zinc/16/48/35/209164835.db2.gz ORBWCEUPNWDEOM-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000184583658 209164838 /nfs/dbraw/zinc/16/48/38/209164838.db2.gz ORBWCEUPNWDEOM-QWHCGFSZSA-N 1 2 357.432 0.812 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000374800799 217175034 /nfs/dbraw/zinc/17/50/34/217175034.db2.gz QBQSWMGLNUPUKZ-GXTWGEPZSA-N 1 2 373.406 0.954 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000182881930 209138508 /nfs/dbraw/zinc/13/85/08/209138508.db2.gz WWXUZDFBDSYVBD-CYBMUJFWSA-N 1 2 356.448 0.870 20 5 FCBDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000182404468 209131005 /nfs/dbraw/zinc/13/10/05/209131005.db2.gz RNCVJXBVPWZKOT-CYBMUJFWSA-N 1 2 357.432 0.980 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000182169984 209128165 /nfs/dbraw/zinc/12/81/65/209128165.db2.gz HDEAUNKYJSTBNY-CQSZACIVSA-N 1 2 359.386 0.947 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425539591 247351728 /nfs/dbraw/zinc/35/17/28/247351728.db2.gz DCZWISRAAKOFEL-NSHDSACASA-N 1 2 351.388 0.976 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425539591 247351731 /nfs/dbraw/zinc/35/17/31/247351731.db2.gz DCZWISRAAKOFEL-NSHDSACASA-N 1 2 351.388 0.976 20 5 FCBDLO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437303970 248062851 /nfs/dbraw/zinc/06/28/51/248062851.db2.gz HTTIOXCHCPXHFQ-CYBMUJFWSA-N 1 2 362.386 0.025 20 5 FCBDLO CCO[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000441349180 248249819 /nfs/dbraw/zinc/24/98/19/248249819.db2.gz DUOCSCCMBSOTIK-ZYHUDNBSSA-N 1 2 354.367 0.765 20 5 FCBDLO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000441349180 248249821 /nfs/dbraw/zinc/24/98/21/248249821.db2.gz DUOCSCCMBSOTIK-ZYHUDNBSSA-N 1 2 354.367 0.765 20 5 FCBDLO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000442817186 248297821 /nfs/dbraw/zinc/29/78/21/248297821.db2.gz GDFWDKOCYVXCTK-MRXNPFEDSA-N 1 2 367.406 0.864 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442817052 248298333 /nfs/dbraw/zinc/29/83/33/248298333.db2.gz LUNFZANTAKRQGY-INIZCTEOSA-N 1 2 367.406 0.864 20 5 FCBDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc([N+](=O)[O-])c1OC ZINC000472870400 250183784 /nfs/dbraw/zinc/18/37/84/250183784.db2.gz CMMYTLFMJAPEHC-OCCSQVGLSA-N 1 2 351.359 0.767 20 5 FCBDLO COc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc([N+](=O)[O-])c1OC ZINC000472870400 250183788 /nfs/dbraw/zinc/18/37/88/250183788.db2.gz CMMYTLFMJAPEHC-OCCSQVGLSA-N 1 2 351.359 0.767 20 5 FCBDLO COc1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000472870397 250184816 /nfs/dbraw/zinc/18/48/16/250184816.db2.gz CMMYTLFMJAPEHC-JSGCOSHPSA-N 1 2 351.359 0.767 20 5 FCBDLO COc1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000472870397 250184819 /nfs/dbraw/zinc/18/48/19/250184819.db2.gz CMMYTLFMJAPEHC-JSGCOSHPSA-N 1 2 351.359 0.767 20 5 FCBDLO C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCN(C)CC1 ZINC000101627968 208165636 /nfs/dbraw/zinc/16/56/36/208165636.db2.gz LULXZXKNUKISGO-OAHLLOKOSA-N 1 2 361.446 0.879 20 5 FCBDLO CCOCCN1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106105719 208209287 /nfs/dbraw/zinc/20/92/87/208209287.db2.gz VGNQOYKZANXPLA-INIZCTEOSA-N 1 2 353.419 0.989 20 5 FCBDLO CCOCC[NH+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000110924021 208274516 /nfs/dbraw/zinc/27/45/16/208274516.db2.gz NJVQVONGBXFSFH-UHFFFAOYSA-N 1 2 374.401 0.970 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111122859 208276428 /nfs/dbraw/zinc/27/64/28/208276428.db2.gz ZCRQAZCTUMTMER-MRXNPFEDSA-N 1 2 373.413 0.851 20 5 FCBDLO CN1CCN(S(=O)(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000020666752 220337552 /nfs/dbraw/zinc/33/75/52/220337552.db2.gz MNTYHQLYZJDZQG-UHFFFAOYSA-N 1 2 351.388 0.717 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266044059 210271609 /nfs/dbraw/zinc/27/16/09/210271609.db2.gz QSYLDTRMEOMIHE-UHFFFAOYSA-N 1 2 365.386 0.471 20 5 FCBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000132044667 208663146 /nfs/dbraw/zinc/66/31/46/208663146.db2.gz OPXUDFMPQQCHCI-UHFFFAOYSA-N 1 2 362.839 0.654 20 5 FCBDLO CC(=O)N1CC[NH+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000071953892 221390618 /nfs/dbraw/zinc/39/06/18/221390618.db2.gz PJGMHQPHHZLXGN-UHFFFAOYSA-N 1 2 360.374 0.407 20 5 FCBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179434498 209078844 /nfs/dbraw/zinc/07/88/44/209078844.db2.gz AYKPTPWDGRXOPP-ZDUSSCGKSA-N 1 2 356.386 0.510 20 5 FCBDLO CC[C@@H](CO)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000023380705 487635131 /nfs/dbraw/zinc/63/51/31/487635131.db2.gz KICNZUPKKWLTET-LBPRGKRZSA-N 1 2 372.447 0.714 20 5 FCBDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556629 487669020 /nfs/dbraw/zinc/66/90/20/487669020.db2.gz GKSGSCMRQYOBHO-GFCCVEGCSA-N 1 2 350.375 0.395 20 5 FCBDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026484510 487683362 /nfs/dbraw/zinc/68/33/62/487683362.db2.gz ZZLXJWIJOSHOAB-UHFFFAOYSA-N 1 2 364.406 0.594 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026976165 487689060 /nfs/dbraw/zinc/68/90/60/487689060.db2.gz LXEITBZDSCQDPT-UHFFFAOYSA-N 1 2 356.404 0.084 20 5 FCBDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027362859 487693629 /nfs/dbraw/zinc/69/36/29/487693629.db2.gz UXDWNGCUTZCYOH-UHFFFAOYSA-N 1 2 363.418 0.336 20 5 FCBDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000030355326 487742204 /nfs/dbraw/zinc/74/22/04/487742204.db2.gz YSXFFQBKXHUCNE-UHFFFAOYSA-N 1 2 370.431 0.392 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543129 487777411 /nfs/dbraw/zinc/77/74/11/487777411.db2.gz LHAJXIUHGHNYJD-CYBMUJFWSA-N 1 2 363.418 0.628 20 5 FCBDLO O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627390 487778434 /nfs/dbraw/zinc/77/84/34/487778434.db2.gz CJBDDWZKADTRIS-NSHDSACASA-N 1 2 350.356 0.697 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000032920669 487786935 /nfs/dbraw/zinc/78/69/35/487786935.db2.gz FEUPSLDVWIFWSC-ZDUSSCGKSA-N 1 2 360.414 0.949 20 5 FCBDLO COC(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000047151110 488015802 /nfs/dbraw/zinc/01/58/02/488015802.db2.gz KXTYZXTWICQNSR-NSHDSACASA-N 1 2 351.359 0.832 20 5 FCBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C1 ZINC000052721513 488179776 /nfs/dbraw/zinc/17/97/76/488179776.db2.gz VIPNMVCBNONHBH-ZIAGYGMSSA-N 1 2 364.450 0.955 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151929 488345436 /nfs/dbraw/zinc/34/54/36/488345436.db2.gz WGMFZHFMRCBCRD-UHFFFAOYSA-N 1 2 360.374 0.580 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074747931 488394157 /nfs/dbraw/zinc/39/41/57/488394157.db2.gz ODSOAISMRMRODU-AWEZNQCLSA-N 1 2 365.434 0.961 20 5 FCBDLO COc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184233101 488395959 /nfs/dbraw/zinc/39/59/59/488395959.db2.gz KCKXJCWNTMXDLT-CYBMUJFWSA-N 1 2 357.382 0.867 20 5 FCBDLO COc1cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184233101 488395961 /nfs/dbraw/zinc/39/59/61/488395961.db2.gz KCKXJCWNTMXDLT-CYBMUJFWSA-N 1 2 357.382 0.867 20 5 FCBDLO COc1cc(CN(C)C[C@@H](O)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184233101 488395963 /nfs/dbraw/zinc/39/59/63/488395963.db2.gz KCKXJCWNTMXDLT-CYBMUJFWSA-N 1 2 357.382 0.867 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000090632401 488460382 /nfs/dbraw/zinc/46/03/82/488460382.db2.gz SWFZZWFVPRUFLC-CYBMUJFWSA-N 1 2 350.354 0.509 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248641029 488499706 /nfs/dbraw/zinc/49/97/06/488499706.db2.gz CGOQSUJQIOOGGK-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248641029 488499708 /nfs/dbraw/zinc/49/97/08/488499708.db2.gz CGOQSUJQIOOGGK-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000103462573 488502174 /nfs/dbraw/zinc/50/21/74/488502174.db2.gz FGBQPAAJPGQWKC-ZDUSSCGKSA-N 1 2 368.438 0.300 20 5 FCBDLO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000271754025 488544166 /nfs/dbraw/zinc/54/41/66/488544166.db2.gz ZIMZHVUSBPHOEV-UHFFFAOYSA-N 1 2 356.766 0.323 20 5 FCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000122315709 488577838 /nfs/dbraw/zinc/57/78/38/488577838.db2.gz GCHRFARUPXVAGN-UHFFFAOYSA-N 1 2 366.422 0.345 20 5 FCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000122315709 488577839 /nfs/dbraw/zinc/57/78/39/488577839.db2.gz GCHRFARUPXVAGN-UHFFFAOYSA-N 1 2 366.422 0.345 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000122431368 488578152 /nfs/dbraw/zinc/57/81/52/488578152.db2.gz PFWQDTNAHMZSGN-WDEREUQCSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000122431368 488578154 /nfs/dbraw/zinc/57/81/54/488578154.db2.gz PFWQDTNAHMZSGN-WDEREUQCSA-N 1 2 361.395 0.810 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272432260 488580572 /nfs/dbraw/zinc/58/05/72/488580572.db2.gz YYIWXNTVVXIJFK-CQSZACIVSA-N 1 2 373.356 0.838 20 5 FCBDLO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000125356083 488600383 /nfs/dbraw/zinc/60/03/83/488600383.db2.gz HWVMXCWYHBUROH-CYBMUJFWSA-N 1 2 363.418 0.077 20 5 FCBDLO Cc1cc(C)nc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000272966889 488621188 /nfs/dbraw/zinc/62/11/88/488621188.db2.gz MMBLGKWYHVEOAL-UHFFFAOYSA-N 1 2 358.402 0.986 20 5 FCBDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000272979718 488622128 /nfs/dbraw/zinc/62/21/28/488622128.db2.gz AQQINHRLUCFZGS-QWHCGFSZSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000272979718 488622130 /nfs/dbraw/zinc/62/21/30/488622130.db2.gz AQQINHRLUCFZGS-QWHCGFSZSA-N 1 2 354.359 0.598 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273154058 488635204 /nfs/dbraw/zinc/63/52/04/488635204.db2.gz ABGFEPOLJDWTAB-UHFFFAOYSA-N 1 2 350.375 0.584 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273154058 488635206 /nfs/dbraw/zinc/63/52/06/488635206.db2.gz ABGFEPOLJDWTAB-UHFFFAOYSA-N 1 2 350.375 0.584 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 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FCBDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000376548727 489752421 /nfs/dbraw/zinc/75/24/21/489752421.db2.gz YNLDHKAAHYCTGY-CHWSQXEVSA-N 1 2 354.359 0.598 20 5 FCBDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000376548727 489752425 /nfs/dbraw/zinc/75/24/25/489752425.db2.gz YNLDHKAAHYCTGY-CHWSQXEVSA-N 1 2 354.359 0.598 20 5 FCBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570916185 491273392 /nfs/dbraw/zinc/27/33/92/491273392.db2.gz HZTMUGNWYHUTJY-CYBMUJFWSA-N 1 2 369.381 0.807 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000475556465 489836039 /nfs/dbraw/zinc/83/60/39/489836039.db2.gz UZYGMNBNECPQAF-GFCCVEGCSA-N 1 2 351.359 0.986 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000475556465 489836046 /nfs/dbraw/zinc/83/60/46/489836046.db2.gz UZYGMNBNECPQAF-GFCCVEGCSA-N 1 2 351.359 0.986 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000475556466 489836252 /nfs/dbraw/zinc/83/62/52/489836252.db2.gz UZYGMNBNECPQAF-LBPRGKRZSA-N 1 2 351.359 0.986 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000475556466 489836255 /nfs/dbraw/zinc/83/62/55/489836255.db2.gz UZYGMNBNECPQAF-LBPRGKRZSA-N 1 2 351.359 0.986 20 5 FCBDLO COc1c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000476070506 489865867 /nfs/dbraw/zinc/86/58/67/489865867.db2.gz FDBDWSOUXFHFGP-UHFFFAOYSA-N 1 2 360.374 0.653 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000494412248 489890886 /nfs/dbraw/zinc/89/08/86/489890886.db2.gz QBRUVCDEIUNCKT-ZDUSSCGKSA-N 1 2 366.418 0.930 20 5 FCBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000420584118 489999014 /nfs/dbraw/zinc/99/90/14/489999014.db2.gz KQXABHSLCILSQY-UHFFFAOYSA-N 1 2 371.401 0.718 20 5 FCBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N(CCO)CC[NH+]1CCOCC1 ZINC000478012242 490000079 /nfs/dbraw/zinc/00/00/79/490000079.db2.gz DPIADMWAFGZCOF-UHFFFAOYSA-N 1 2 366.418 0.550 20 5 FCBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N(CCO)CC[NH+]1CCOCC1 ZINC000478012428 490000245 /nfs/dbraw/zinc/00/02/45/490000245.db2.gz DYWLYJIWBROIMV-UHFFFAOYSA-N 1 2 353.375 0.127 20 5 FCBDLO Cn1c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000479029609 490062967 /nfs/dbraw/zinc/06/29/67/490062967.db2.gz WPSUZXYJBDETPX-CYBMUJFWSA-N 1 2 352.391 0.497 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000378437362 490065278 /nfs/dbraw/zinc/06/52/78/490065278.db2.gz SFBHDZYCUPQMSN-CYBMUJFWSA-N 1 2 357.388 0.714 20 5 FCBDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000378437362 490065284 /nfs/dbraw/zinc/06/52/84/490065284.db2.gz SFBHDZYCUPQMSN-CYBMUJFWSA-N 1 2 357.388 0.714 20 5 FCBDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000465163256 490089841 /nfs/dbraw/zinc/08/98/41/490089841.db2.gz FGXIYFMRWZRAQS-LBPRGKRZSA-N 1 2 351.359 0.355 20 5 FCBDLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000465163256 490089845 /nfs/dbraw/zinc/08/98/45/490089845.db2.gz FGXIYFMRWZRAQS-LBPRGKRZSA-N 1 2 351.359 0.355 20 5 FCBDLO COCCNC(=O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447807845 490279361 /nfs/dbraw/zinc/27/93/61/490279361.db2.gz RSTJPNGTFVODHW-UHFFFAOYSA-N 1 2 352.391 0.602 20 5 FCBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483373396 490311826 /nfs/dbraw/zinc/31/18/26/490311826.db2.gz FOHCYBYSUQILFX-CYBMUJFWSA-N 1 2 366.374 0.259 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000534093884 490315669 /nfs/dbraw/zinc/31/56/69/490315669.db2.gz ICLMREJICGTHIE-JTQLQIEISA-N 1 2 351.294 0.553 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000534093884 490315671 /nfs/dbraw/zinc/31/56/71/490315671.db2.gz ICLMREJICGTHIE-JTQLQIEISA-N 1 2 351.294 0.553 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C1CC1)[C@@H]1CC(=O)NC1=O 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/nfs/dbraw/zinc/45/78/58/490457858.db2.gz XZYQTFAOVVMJEP-DLBZAZTESA-N 1 2 360.414 0.979 20 5 FCBDLO CN(CC(=O)NCCc1[nH]cc[nH+]1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000468903562 490462618 /nfs/dbraw/zinc/46/26/18/490462618.db2.gz IXBPMVRGBKFUON-UHFFFAOYSA-N 1 2 367.387 0.297 20 5 FCBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000523579083 490476556 /nfs/dbraw/zinc/47/65/56/490476556.db2.gz FFEYGPURIXYSSO-HNNXBMFYSA-N 1 2 350.423 0.552 20 5 FCBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000523579083 490476559 /nfs/dbraw/zinc/47/65/59/490476559.db2.gz FFEYGPURIXYSSO-HNNXBMFYSA-N 1 2 350.423 0.552 20 5 FCBDLO Cc1[nH]c(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000523942890 490504646 /nfs/dbraw/zinc/50/46/46/490504646.db2.gz KZYBOHAEUVZCPZ-UHFFFAOYSA-N 1 2 353.360 0.335 20 5 FCBDLO CS(=O)(=O)c1cc(C(=O)N2CC(n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000524397666 490535345 /nfs/dbraw/zinc/53/53/45/490535345.db2.gz LKWFLCGIBNOQRP-UHFFFAOYSA-N 1 2 350.356 0.892 20 5 FCBDLO CO[C@@H]1C[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1OC ZINC000488048998 490744050 /nfs/dbraw/zinc/74/40/50/490744050.db2.gz YYAVAMSSYJXWKW-ZIAGYGMSSA-N 1 2 353.331 0.608 20 5 FCBDLO COc1ccc(CC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000530676143 490918629 /nfs/dbraw/zinc/91/86/29/490918629.db2.gz ZGOZOMVNPUONDZ-UHFFFAOYSA-N 1 2 374.401 0.582 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC=CC3)c([N+](=O)[O-])c2)CC1 ZINC000573095927 491412695 /nfs/dbraw/zinc/41/26/95/491412695.db2.gz MXYQOZUVGPSDMX-UHFFFAOYSA-N 1 2 352.416 0.907 20 5 FCBDLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000566849026 491470799 /nfs/dbraw/zinc/47/07/99/491470799.db2.gz NYLWUHJSUBXLAA-XJKSGUPXSA-N 1 2 351.403 0.850 20 5 FCBDLO CCOC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000567601527 491516861 /nfs/dbraw/zinc/51/68/61/491516861.db2.gz WGOJPTDGEHJQTM-HNNXBMFYSA-N 1 2 353.375 0.704 20 5 FCBDLO CCn1cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])n1 ZINC000560071908 491518755 /nfs/dbraw/zinc/51/87/55/491518755.db2.gz FWQQWRWOARLOKK-UHFFFAOYSA-N 1 2 354.392 0.823 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2 ZINC000560493997 491542672 /nfs/dbraw/zinc/54/26/72/491542672.db2.gz VHNIRDCVPWQOOH-LLVKDONJSA-N 1 2 361.358 0.480 20 5 FCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000560501525 491542945 /nfs/dbraw/zinc/54/29/45/491542945.db2.gz FOKHUIUPIHCABU-NSHDSACASA-N 1 2 362.394 0.824 20 5 FCBDLO O=C(NCCn1cc[nH+]c1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000575191406 491544708 /nfs/dbraw/zinc/54/47/08/491544708.db2.gz DXOVQGVPJZRYMQ-UHFFFAOYSA-N 1 2 357.330 0.100 20 5 FCBDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000577191518 491600393 /nfs/dbraw/zinc/60/03/93/491600393.db2.gz NPUQDGATAZHAOW-SNVBAGLBSA-N 1 2 351.363 0.187 20 5 FCBDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 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/nfs/dbraw/zinc/69/15/83/491691583.db2.gz JSUVPDGUAAQJLL-GFCCVEGCSA-N 1 2 359.390 1.274 20 5 FCBDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590569496 491779387 /nfs/dbraw/zinc/77/93/87/491779387.db2.gz LXEAOKXGWQVIDM-UHFFFAOYSA-N 1 2 355.362 0.575 20 5 FCBDLO Cc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000590565112 491779526 /nfs/dbraw/zinc/77/95/26/491779526.db2.gz OWLUOOKDJRCAMK-MRVPVSSYSA-N 1 2 353.360 0.765 20 5 FCBDLO COC(=O)Cn1cc(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000582270461 491804886 /nfs/dbraw/zinc/80/48/86/491804886.db2.gz BSNBOLGESYDLCJ-UHFFFAOYSA-N 1 2 361.358 0.796 20 5 FCBDLO COC(=O)Cn1cc(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000582270461 491804887 /nfs/dbraw/zinc/80/48/87/491804887.db2.gz BSNBOLGESYDLCJ-UHFFFAOYSA-N 1 2 361.358 0.796 20 5 FCBDLO O=C(C[NH+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1)NC1CC1 ZINC000611699857 491869659 /nfs/dbraw/zinc/86/96/59/491869659.db2.gz HSAHLQYTWUGGOS-UHFFFAOYSA-N 1 2 356.386 0.939 20 5 FCBDLO COc1ccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000611828229 491877079 /nfs/dbraw/zinc/87/70/79/491877079.db2.gz RWPMFQYTEXHAIJ-UHFFFAOYSA-N 1 2 368.390 0.762 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000595124860 491886303 /nfs/dbraw/zinc/88/63/03/491886303.db2.gz GDSOYYGMZMKMDS-RYUDHWBXSA-N 1 2 350.375 0.759 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000595124860 491886304 /nfs/dbraw/zinc/88/63/04/491886304.db2.gz GDSOYYGMZMKMDS-RYUDHWBXSA-N 1 2 350.375 0.759 20 5 FCBDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000595156346 491891573 /nfs/dbraw/zinc/89/15/73/491891573.db2.gz WQOAVFNIVYOCEI-CQSZACIVSA-N 1 2 362.386 0.775 20 5 FCBDLO NC(=O)c1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000596112998 491975907 /nfs/dbraw/zinc/97/59/07/491975907.db2.gz ZEKMDUZDAUQKNN-UHFFFAOYSA-N 1 2 360.374 0.966 20 5 FCBDLO NS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000596247145 491981215 /nfs/dbraw/zinc/98/12/15/491981215.db2.gz LGKZPEBXCVNNMH-GFCCVEGCSA-N 1 2 370.431 0.543 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596428044 491985179 /nfs/dbraw/zinc/98/51/79/491985179.db2.gz GRYXSSVLAGFYAY-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000596428044 491985181 /nfs/dbraw/zinc/98/51/81/491985181.db2.gz GRYXSSVLAGFYAY-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000598608096 492108149 /nfs/dbraw/zinc/10/81/49/492108149.db2.gz SLXXMVIGIUXKHM-CYBMUJFWSA-N 1 2 364.406 0.132 20 5 FCBDLO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCOCC1 ZINC000598895167 492120625 /nfs/dbraw/zinc/12/06/25/492120625.db2.gz UVYCLRCGDGMEJM-UHFFFAOYSA-N 1 2 351.363 0.165 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000598950871 492126900 /nfs/dbraw/zinc/12/69/00/492126900.db2.gz VBGWICLYSVPISW-LBPRGKRZSA-N 1 2 373.369 0.661 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000599619026 492194219 /nfs/dbraw/zinc/19/42/19/492194219.db2.gz QWLCUPRGYNUBHG-UHFFFAOYSA-N 1 2 350.375 0.471 20 5 FCBDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000599619026 492194221 /nfs/dbraw/zinc/19/42/21/492194221.db2.gz QWLCUPRGYNUBHG-UHFFFAOYSA-N 1 2 350.375 0.471 20 5 FCBDLO CC1(C[NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)COC1 ZINC000609851304 492224783 /nfs/dbraw/zinc/22/47/83/492224783.db2.gz JJKPZDFKUOVFNQ-UHFFFAOYSA-N 1 2 355.416 0.938 20 5 FCBDLO Nc1c(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000610113749 492235246 /nfs/dbraw/zinc/23/52/46/492235246.db2.gz UDYUNBMRKZYCIP-UHFFFAOYSA-N 1 2 363.353 0.366 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000619483175 492264990 /nfs/dbraw/zinc/26/49/90/492264990.db2.gz XRSMSZFLNFEVFI-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000619483175 492264992 /nfs/dbraw/zinc/26/49/92/492264992.db2.gz XRSMSZFLNFEVFI-LLVKDONJSA-N 1 2 358.420 0.128 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000619485247 492265268 /nfs/dbraw/zinc/26/52/68/492265268.db2.gz XARLVEFFCCTKBL-LBPRGKRZSA-N 1 2 373.431 0.850 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610898840 492267127 /nfs/dbraw/zinc/26/71/27/492267127.db2.gz HWFCVWRRJLRKSO-MFKMUULPSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000610898840 492267129 /nfs/dbraw/zinc/26/71/29/492267129.db2.gz HWFCVWRRJLRKSO-MFKMUULPSA-N 1 2 359.404 0.601 20 5 FCBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]21 ZINC000611199795 492281294 /nfs/dbraw/zinc/28/12/94/492281294.db2.gz VOLMGWADKIUHDL-HZPDHXFCSA-N 1 2 357.370 0.936 20 5 FCBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C[C@H]21 ZINC000611199795 492281295 /nfs/dbraw/zinc/28/12/95/492281295.db2.gz VOLMGWADKIUHDL-HZPDHXFCSA-N 1 2 357.370 0.936 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000611236395 492282541 /nfs/dbraw/zinc/28/25/41/492282541.db2.gz CRTUAGRPWVMJQI-UHFFFAOYSA-N 1 2 364.406 0.099 20 5 FCBDLO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000611236395 492282543 /nfs/dbraw/zinc/28/25/43/492282543.db2.gz CRTUAGRPWVMJQI-UHFFFAOYSA-N 1 2 364.406 0.099 20 5 FCBDLO COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000611370523 492286851 /nfs/dbraw/zinc/28/68/51/492286851.db2.gz WMRMUTUHSUIDOE-UHFFFAOYSA-N 1 2 372.447 0.730 20 5 FCBDLO CNc1nc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000455864286 536423062 /nfs/dbraw/zinc/42/30/62/536423062.db2.gz QZDDQAFFFSCYJP-NSHDSACASA-N 1 2 365.390 0.741 20 5 FCBDLO COC(=O)c1conc1C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425559034 536850303 /nfs/dbraw/zinc/85/03/03/536850303.db2.gz GEVPLJRZGJTINP-SNVBAGLBSA-N 1 2 353.335 0.452 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592532138 546953739 /nfs/dbraw/zinc/95/37/39/546953739.db2.gz MTOMHQSIDXDZAD-VXGBXAGGSA-N 1 2 352.343 0.722 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592532138 546953740 /nfs/dbraw/zinc/95/37/40/546953740.db2.gz MTOMHQSIDXDZAD-VXGBXAGGSA-N 1 2 352.343 0.722 20 5 FCBDLO C[NH+]1CCN(CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736864572 598499258 /nfs/dbraw/zinc/49/92/58/598499258.db2.gz SFNXWUUAQPSXDK-UHFFFAOYSA-N 1 2 361.410 0.609 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000819892079 606197925 /nfs/dbraw/zinc/19/79/25/606197925.db2.gz SYKIECDVZHUORI-UHFFFAOYSA-N 1 2 360.378 0.161 20 5 FCBDLO CN(CCC[NH+]1CCN(C)CC1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821626821 606710122 /nfs/dbraw/zinc/71/01/22/606710122.db2.gz AKIQZLXBQVJBBZ-UHFFFAOYSA-N 1 2 361.410 0.244 20 5 FCBDLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)F)n1 ZINC001025775619 664189248 /nfs/dbraw/zinc/18/92/48/664189248.db2.gz JPBKQOJEFHEESZ-HMUNZLOLSA-N 1 2 355.345 0.569 20 5 FCBDLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)F)n1 ZINC001025775619 664189249 /nfs/dbraw/zinc/18/92/49/664189249.db2.gz JPBKQOJEFHEESZ-HMUNZLOLSA-N 1 2 355.345 0.569 20 5 FCBDLO CCn1ncc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964289 665219299 /nfs/dbraw/zinc/21/92/99/665219299.db2.gz DGKJNXUBJVBWIE-HUUCEWRRSA-N 1 2 350.423 0.634 20 5 FCBDLO CCn1ncc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964289 665219301 /nfs/dbraw/zinc/21/93/01/665219301.db2.gz DGKJNXUBJVBWIE-HUUCEWRRSA-N 1 2 350.423 0.634 20 5 FCBDLO O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCCCCCC1 ZINC001031663392 667245803 /nfs/dbraw/zinc/24/58/03/667245803.db2.gz YMTHCCGGIPVICK-HUUCEWRRSA-N 1 2 352.435 0.492 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805476799 668071025 /nfs/dbraw/zinc/07/10/25/668071025.db2.gz ZUHVBKOZIHVJPR-CQSZACIVSA-N 1 2 351.359 0.822 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805476799 668071031 /nfs/dbraw/zinc/07/10/31/668071031.db2.gz ZUHVBKOZIHVJPR-CQSZACIVSA-N 1 2 351.359 0.822 20 5 FCBDLO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000768855038 668101608 /nfs/dbraw/zinc/10/16/08/668101608.db2.gz WSGSRYNRRAHHDD-NSHDSACASA-N 1 2 361.445 0.999 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000781447939 668512628 /nfs/dbraw/zinc/51/26/28/668512628.db2.gz OTIVEYSEFFWHBO-UHFFFAOYSA-N 1 2 371.419 0.042 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000804497942 669382849 /nfs/dbraw/zinc/38/28/49/669382849.db2.gz KJBPKHZSXOWYDT-VWLOTQADSA-N 1 2 365.415 0.744 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1F ZINC000866768427 672301571 /nfs/dbraw/zinc/30/15/71/672301571.db2.gz AMXRMSKAUMJHRZ-NSHDSACASA-N 1 2 360.411 0.566 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1F ZINC000866768427 672301576 /nfs/dbraw/zinc/30/15/76/672301576.db2.gz AMXRMSKAUMJHRZ-NSHDSACASA-N 1 2 360.411 0.566 20 5 FCBDLO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cncs1 ZINC001055532648 676022756 /nfs/dbraw/zinc/02/27/56/676022756.db2.gz HQWWLUZHBNQUFJ-VXGBXAGGSA-N 1 2 367.431 0.119 20 5 FCBDLO Cc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)s1 ZINC001050517051 676085231 /nfs/dbraw/zinc/08/52/31/676085231.db2.gz NQYDRIKUDLLDNO-VXGBXAGGSA-N 1 2 351.432 0.936 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775558 1182831340 /nfs/dbraw/zinc/83/13/40/1182831340.db2.gz FKZSUFXFOBAANE-VVSAWPALSA-N 1 2 359.386 0.271 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775558 1182831341 /nfs/dbraw/zinc/83/13/41/1182831341.db2.gz FKZSUFXFOBAANE-VVSAWPALSA-N 1 2 359.386 0.271 20 5 FCBDLO O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000974114374 1183002009 /nfs/dbraw/zinc/00/20/09/1183002009.db2.gz GBVUFJFRKPHFIQ-AYRXBEOTSA-N 1 2 370.369 0.310 20 5 FCBDLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH+]1 ZINC000978797155 1186008811 /nfs/dbraw/zinc/00/88/11/1186008811.db2.gz XSOPWAYKSHJLET-XJFOESAGSA-N 1 2 363.418 0.603 20 5 FCBDLO O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cc2c[nH+]ccc2[nH]1 ZINC000979747703 1186113189 /nfs/dbraw/zinc/11/31/89/1186113189.db2.gz MCYAINDPQDNFJU-SDBHATRESA-N 1 2 357.370 0.853 20 5 FCBDLO COc1cc(OCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000896567358 1190095169 /nfs/dbraw/zinc/09/51/69/1190095169.db2.gz GGLDAPLPZZFUBL-WFASDCNBSA-N 1 2 366.418 0.733 20 5 FCBDLO COc1cc(OCC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000896567358 1190095172 /nfs/dbraw/zinc/09/51/72/1190095172.db2.gz GGLDAPLPZZFUBL-WFASDCNBSA-N 1 2 366.418 0.733 20 5 FCBDLO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000896570142 1190095581 /nfs/dbraw/zinc/09/55/81/1190095581.db2.gz JVRNDMRAXJWTBY-MLGOLLRUSA-N 1 2 360.418 0.695 20 5 FCBDLO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CC[N@H+]1C ZINC000896570142 1190095588 /nfs/dbraw/zinc/09/55/88/1190095588.db2.gz JVRNDMRAXJWTBY-MLGOLLRUSA-N 1 2 360.418 0.695 20 5 FCBDLO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2nnc(-c3ccco3)o2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084266 1198143078 /nfs/dbraw/zinc/14/30/78/1198143078.db2.gz KCRRMXWNOBKWKW-WRWGMCAJSA-N 1 2 361.358 0.979 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000846121330 1204587140 /nfs/dbraw/zinc/58/71/40/1204587140.db2.gz BNKTVFNGJXIXBC-GUYCJALGSA-N 1 2 374.397 0.799 20 5 FCBDLO Cc1ccc(C[NH+]2CC(n3cc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])nn3)C2)cc1 ZINC001094291952 1206215093 /nfs/dbraw/zinc/21/50/93/1206215093.db2.gz WURHUXIHJUEAIA-IAGOWNOFSA-N 1 2 370.413 0.925 20 5 FCBDLO Cc1cc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)no1 ZINC000949092194 1212289434 /nfs/dbraw/zinc/28/94/34/1212289434.db2.gz PZOYWIQQSUKRKR-HUUCEWRRSA-N 1 2 364.402 0.842 20 5 FCBDLO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+]1CCN(C)CC1 ZINC000194641981 1212905971 /nfs/dbraw/zinc/90/59/71/1212905971.db2.gz RDSHADAZXLNXTE-OAHLLOKOSA-N 1 2 361.446 0.879 20 5 FCBDLO Cc1nnc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)[nH]1 ZINC000957547397 1213320632 /nfs/dbraw/zinc/32/06/32/1213320632.db2.gz FTYNSEBFJJPTIA-ZIAGYGMSSA-N 1 2 362.434 0.983 20 5 FCBDLO Cn1cc[nH+]c1CCC(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001017440625 1214095303 /nfs/dbraw/zinc/09/53/03/1214095303.db2.gz MGCDUJIHHNAOHG-ZIAGYGMSSA-N 1 2 361.402 0.293 20 5 FCBDLO 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Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1C1CC1 ZINC001048814526 1218319048 /nfs/dbraw/zinc/31/90/48/1218319048.db2.gz PJUQMSFUSSXYID-AYRXBEOTSA-N 1 2 360.418 0.477 20 5 FCBDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1C1CC1 ZINC001048814526 1218319051 /nfs/dbraw/zinc/31/90/51/1218319051.db2.gz PJUQMSFUSSXYID-AYRXBEOTSA-N 1 2 360.418 0.477 20 5 FCBDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccccc1 ZINC001227253413 1225868389 /nfs/dbraw/zinc/86/83/89/1225868389.db2.gz ZXELRVYFPCVSNW-HZPDHXFCSA-N 1 2 360.414 0.549 20 5 FCBDLO COc1ccc(CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001117054487 1221448254 /nfs/dbraw/zinc/44/82/54/1221448254.db2.gz RJWSVBQSXLUALW-LLVKDONJSA-N 1 2 361.358 0.621 20 5 FCBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001117555889 1221569656 /nfs/dbraw/zinc/56/96/56/1221569656.db2.gz CQULTYBYNAKISU-AWEZNQCLSA-N 1 2 369.381 0.807 20 5 FCBDLO 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CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087496589 208115350 /nfs/dbraw/zinc/11/53/50/208115350.db2.gz LGRYEIWONPJCIY-MRXNPFEDSA-N 1 2 351.403 0.679 20 5 FCBDLO Cc1c(C(=O)NCC[NH+]2CCOCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000105618211 208201759 /nfs/dbraw/zinc/20/17/59/208201759.db2.gz XQQASLXIFOPPEW-UHFFFAOYSA-N 1 2 360.374 0.546 20 5 FCBDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000117106872 208341898 /nfs/dbraw/zinc/34/18/98/208341898.db2.gz XUSFIHCFUURTBJ-UHFFFAOYSA-N 1 2 357.432 0.813 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266700880 210384716 /nfs/dbraw/zinc/38/47/16/210384716.db2.gz GBWBPTNWKWOYDI-UHFFFAOYSA-N 1 2 350.375 0.382 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278312346 488866961 /nfs/dbraw/zinc/86/69/61/488866961.db2.gz XCCBUVDREMEFJA-UHFFFAOYSA-N 1 2 351.363 0.885 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000299733150 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352.391 0.634 20 5 FCBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543130 487778150 /nfs/dbraw/zinc/77/81/50/487778150.db2.gz LHAJXIUHGHNYJD-ZDUSSCGKSA-N 1 2 363.418 0.628 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000041408306 487826774 /nfs/dbraw/zinc/82/67/74/487826774.db2.gz JIKYNLYUFBXOAZ-AWEZNQCLSA-N 1 2 355.420 0.115 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000041739305 487839769 /nfs/dbraw/zinc/83/97/69/487839769.db2.gz FTISOCKKCGQWBH-GFCCVEGCSA-N 1 2 350.375 0.679 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043269111 487896213 /nfs/dbraw/zinc/89/62/13/487896213.db2.gz UCMFQSOBQGTXCP-HNNXBMFYSA-N 1 2 359.386 0.809 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043269111 487896217 /nfs/dbraw/zinc/89/62/17/487896217.db2.gz UCMFQSOBQGTXCP-HNNXBMFYSA-N 1 2 359.386 0.809 20 5 FCBDLO 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COC(=O)c1cc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000278020136 488796353 /nfs/dbraw/zinc/79/63/53/488796353.db2.gz SVQMURMIKVNWBI-UHFFFAOYSA-N 1 2 363.370 0.976 20 5 FCBDLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000267571444 488799244 /nfs/dbraw/zinc/79/92/44/488799244.db2.gz DNJWJSCIVJOLTI-CJNGLKHVSA-N 1 2 366.418 0.990 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000267618484 488805748 /nfs/dbraw/zinc/80/57/48/488805748.db2.gz XRNJVVVQZJDCJH-UHFFFAOYSA-N 1 2 366.374 0.333 20 5 FCBDLO NS(=O)(=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000267913678 488828853 /nfs/dbraw/zinc/82/88/53/488828853.db2.gz GQYZNZFFOHYWGU-UHFFFAOYSA-N 1 2 362.839 0.654 20 5 FCBDLO COC(=O)[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000268013035 488834015 /nfs/dbraw/zinc/83/40/15/488834015.db2.gz QUNFJZOCMHBOGW-MRXNPFEDSA-N 1 2 360.326 0.842 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174494056 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WJIRYTHGUIAQQV-ZDUSSCGKSA-N 1 2 362.342 0.906 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCc3cn[nH]c3)CC2)c1 ZINC000289322765 489058620 /nfs/dbraw/zinc/05/86/20/489058620.db2.gz KEAHIUTZFVDHJF-UHFFFAOYSA-N 1 2 365.415 0.867 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000563268137 491234274 /nfs/dbraw/zinc/23/42/74/491234274.db2.gz IRILPYXOWHRTRX-UHFFFAOYSA-N 1 2 355.358 1.042 20 5 FCBDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365915437 489125174 /nfs/dbraw/zinc/12/51/74/489125174.db2.gz KUIKYVRODBORQP-UHFFFAOYSA-N 1 2 374.357 0.997 20 5 FCBDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528139 489172231 /nfs/dbraw/zinc/17/22/31/489172231.db2.gz URFYVIIXGVVQCX-OCCSQVGLSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528139 489172236 /nfs/dbraw/zinc/17/22/36/489172236.db2.gz URFYVIIXGVVQCX-OCCSQVGLSA-N 1 2 369.443 0.761 20 5 FCBDLO CC(C)NS(=O)(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295317783 489192273 /nfs/dbraw/zinc/19/22/73/489192273.db2.gz LKRXRWCMMOCKGH-HNNXBMFYSA-N 1 2 372.447 0.489 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000361742909 489364551 /nfs/dbraw/zinc/36/45/51/489364551.db2.gz HONDGRUYEBMGDB-JTQLQIEISA-N 1 2 356.404 0.675 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000298791976 489365845 /nfs/dbraw/zinc/36/58/45/489365845.db2.gz YERRFZTUQTZSLV-UHFFFAOYSA-N 1 2 363.418 0.677 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000370580731 489377818 /nfs/dbraw/zinc/37/78/18/489377818.db2.gz WZGICZIQQRVTGF-YWPYICTPSA-N 1 2 356.400 0.453 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000370580731 489377819 /nfs/dbraw/zinc/37/78/19/489377819.db2.gz WZGICZIQQRVTGF-YWPYICTPSA-N 1 2 356.400 0.453 20 5 FCBDLO CS(=O)(=O)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298910446 489381053 /nfs/dbraw/zinc/38/10/53/489381053.db2.gz BYCWRZLDCALIPC-UHFFFAOYSA-N 1 2 352.372 0.945 20 5 FCBDLO CN(C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000362468511 489388625 /nfs/dbraw/zinc/38/86/25/489388625.db2.gz KFKIVSYKSASFGE-UHFFFAOYSA-N 1 2 356.404 0.311 20 5 FCBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000299009716 489394403 /nfs/dbraw/zinc/39/44/03/489394403.db2.gz KTPMRHUZFZXPPX-JTQLQIEISA-N 1 2 357.326 0.592 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000363386185 489460753 /nfs/dbraw/zinc/46/07/53/489460753.db2.gz LGOYDJMFWSQYTM-AWEZNQCLSA-N 1 2 362.386 0.855 20 5 FCBDLO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000363386185 489460755 /nfs/dbraw/zinc/46/07/55/489460755.db2.gz LGOYDJMFWSQYTM-AWEZNQCLSA-N 1 2 362.386 0.855 20 5 FCBDLO Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000299633145 489465635 /nfs/dbraw/zinc/46/56/35/489465635.db2.gz KCAUCVIIYIOUDK-UHFFFAOYSA-N 1 2 350.375 0.632 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371690843 489498944 /nfs/dbraw/zinc/49/89/44/489498944.db2.gz ZNZDABIOZKSQJO-OBJOEFQTSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000371690843 489498947 /nfs/dbraw/zinc/49/89/47/489498947.db2.gz ZNZDABIOZKSQJO-OBJOEFQTSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@H+](C)C1 ZINC000416590688 489615239 /nfs/dbraw/zinc/61/52/39/489615239.db2.gz SQUCXKDZSAOUNW-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+](C)C1 ZINC000416590688 489615240 /nfs/dbraw/zinc/61/52/40/489615240.db2.gz SQUCXKDZSAOUNW-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000416650250 489620991 /nfs/dbraw/zinc/62/09/91/489620991.db2.gz AKVVCBHUVZXUEB-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000416650250 489620992 /nfs/dbraw/zinc/62/09/92/489620992.db2.gz AKVVCBHUVZXUEB-OLZOCXBDSA-N 1 2 357.432 0.979 20 5 FCBDLO CN(C(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000428784239 489664313 /nfs/dbraw/zinc/66/43/13/489664313.db2.gz JVYNAJKQGUWFFH-AWEZNQCLSA-N 1 2 370.431 0.523 20 5 FCBDLO CN(C(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000428784239 489664317 /nfs/dbraw/zinc/66/43/17/489664317.db2.gz JVYNAJKQGUWFFH-AWEZNQCLSA-N 1 2 370.431 0.523 20 5 FCBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428814167 489664783 /nfs/dbraw/zinc/66/47/83/489664783.db2.gz RHVSMYIUMFPYNY-NSHDSACASA-N 1 2 353.404 0.937 20 5 FCBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428814167 489664785 /nfs/dbraw/zinc/66/47/85/489664785.db2.gz RHVSMYIUMFPYNY-NSHDSACASA-N 1 2 353.404 0.937 20 5 FCBDLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457988785 489664889 /nfs/dbraw/zinc/66/48/89/489664889.db2.gz XHYUXQUEHIQQFP-UHFFFAOYSA-N 1 2 365.386 0.912 20 5 FCBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428814165 489665089 /nfs/dbraw/zinc/66/50/89/489665089.db2.gz RHVSMYIUMFPYNY-LLVKDONJSA-N 1 2 353.404 0.937 20 5 FCBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428814165 489665091 /nfs/dbraw/zinc/66/50/91/489665091.db2.gz RHVSMYIUMFPYNY-LLVKDONJSA-N 1 2 353.404 0.937 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000469278408 489699198 /nfs/dbraw/zinc/69/91/98/489699198.db2.gz PHAOSNKDBRUKEA-SNVBAGLBSA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000469278408 489699201 /nfs/dbraw/zinc/69/92/01/489699201.db2.gz PHAOSNKDBRUKEA-SNVBAGLBSA-N 1 2 357.388 0.706 20 5 FCBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430205603 489724210 /nfs/dbraw/zinc/72/42/10/489724210.db2.gz UOQWOKMVDGHJPC-UHFFFAOYSA-N 1 2 367.402 0.911 20 5 FCBDLO CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000492558681 489831324 /nfs/dbraw/zinc/83/13/24/489831324.db2.gz NPUIPTLCDBYHHF-CYBMUJFWSA-N 1 2 363.418 0.676 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000475568980 489836681 /nfs/dbraw/zinc/83/66/81/489836681.db2.gz HNPVNVRUHQWDBZ-LBPRGKRZSA-N 1 2 372.399 0.766 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000475568980 489836684 /nfs/dbraw/zinc/83/66/84/489836684.db2.gz HNPVNVRUHQWDBZ-LBPRGKRZSA-N 1 2 372.399 0.766 20 5 FCBDLO COc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000476203853 489873611 /nfs/dbraw/zinc/87/36/11/489873611.db2.gz JIUTZIKCLPLXSD-MRXNPFEDSA-N 1 2 353.375 0.416 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000476391006 489884258 /nfs/dbraw/zinc/88/42/58/489884258.db2.gz PWSRNUAGCGXUHR-UHFFFAOYSA-N 1 2 363.378 0.972 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494736240 489910371 /nfs/dbraw/zinc/91/03/71/489910371.db2.gz NXFZQPVVOXPAQU-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494736240 489910375 /nfs/dbraw/zinc/91/03/75/489910375.db2.gz NXFZQPVVOXPAQU-LBPRGKRZSA-N 1 2 356.404 0.207 20 5 FCBDLO O=C1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1cccc(F)c1 ZINC000462457450 489976930 /nfs/dbraw/zinc/97/69/30/489976930.db2.gz ZZFTWQSZPYGTDN-HNNXBMFYSA-N 1 2 363.349 0.640 20 5 FCBDLO O=C1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1c1cccc(F)c1 ZINC000462457450 489976933 /nfs/dbraw/zinc/97/69/33/489976933.db2.gz ZZFTWQSZPYGTDN-HNNXBMFYSA-N 1 2 363.349 0.640 20 5 FCBDLO CCOC(=O)c1ccnc(NC[C@@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000462878733 489994135 /nfs/dbraw/zinc/99/41/35/489994135.db2.gz NVAOCQODPGYZEX-MRXNPFEDSA-N 1 2 368.390 0.662 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420903924 490030426 /nfs/dbraw/zinc/03/04/26/490030426.db2.gz OTSHJCMXSHBPLY-BETUJISGSA-N 1 2 355.416 0.672 20 5 FCBDLO CC(C)N(C)C(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421014862 490041876 /nfs/dbraw/zinc/04/18/76/490041876.db2.gz KQVSMMRMHIQZAN-UHFFFAOYSA-N 1 2 372.447 0.672 20 5 FCBDLO CC(C)N(C)C(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421014862 490041881 /nfs/dbraw/zinc/04/18/81/490041881.db2.gz KQVSMMRMHIQZAN-UHFFFAOYSA-N 1 2 372.447 0.672 20 5 FCBDLO Cn1c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000479029610 490062831 /nfs/dbraw/zinc/06/28/31/490062831.db2.gz WPSUZXYJBDETPX-ZDUSSCGKSA-N 1 2 352.391 0.497 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444683079 490105140 /nfs/dbraw/zinc/10/51/40/490105140.db2.gz WRWZAQNVYGLESK-NSHDSACASA-N 1 2 353.404 0.985 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444683079 490105146 /nfs/dbraw/zinc/10/51/46/490105146.db2.gz WRWZAQNVYGLESK-NSHDSACASA-N 1 2 353.404 0.985 20 5 FCBDLO NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000532871824 490134233 /nfs/dbraw/zinc/13/42/33/490134233.db2.gz LKVKCGQOGSXLRR-NSHDSACASA-N 1 2 365.371 0.284 20 5 FCBDLO NC(=O)c1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)on1 ZINC000466456518 490186495 /nfs/dbraw/zinc/18/64/95/490186495.db2.gz QYZIDEDEAMEUTD-UHFFFAOYSA-N 1 2 356.298 0.797 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000533175561 490190055 /nfs/dbraw/zinc/19/00/55/490190055.db2.gz FXXASEUEYLJLKJ-UHFFFAOYSA-N 1 2 373.435 0.297 20 5 FCBDLO O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]c2ccnn21 ZINC000533222003 490197143 /nfs/dbraw/zinc/19/71/43/490197143.db2.gz JDBCQHVRTMUCKO-UHFFFAOYSA-N 1 2 355.358 0.648 20 5 FCBDLO O=[N+]([O-])c1ccc2[nH]c(=NCCCCN3CC[NH+](CCO)CC3)[nH]c2c1 ZINC000447675313 490256468 /nfs/dbraw/zinc/25/64/68/490256468.db2.gz AKMSSJCDBUJMIC-UHFFFAOYSA-N 1 2 362.434 0.695 20 5 FCBDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000507835429 490269774 /nfs/dbraw/zinc/26/97/74/490269774.db2.gz AOXNWAKTQQCZOS-UHFFFAOYSA-N 1 2 364.402 0.641 20 5 FCBDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000507835429 490269777 /nfs/dbraw/zinc/26/97/77/490269777.db2.gz AOXNWAKTQQCZOS-UHFFFAOYSA-N 1 2 364.402 0.641 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000521755117 490297206 /nfs/dbraw/zinc/29/72/06/490297206.db2.gz PCVXBUIOMORYOR-UHFFFAOYSA-N 1 2 371.397 0.990 20 5 FCBDLO Cc1c(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000522268759 490364294 /nfs/dbraw/zinc/36/42/94/490364294.db2.gz XNCWPCCSSMQNJL-LBPRGKRZSA-N 1 2 374.401 0.934 20 5 FCBDLO Cc1c(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000522268759 490364299 /nfs/dbraw/zinc/36/42/99/490364299.db2.gz XNCWPCCSSMQNJL-LBPRGKRZSA-N 1 2 374.401 0.934 20 5 FCBDLO COCCNC(=O)C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509063775 490384926 /nfs/dbraw/zinc/38/49/26/490384926.db2.gz GTRPNQNFXYBOKQ-UHFFFAOYSA-N 1 2 374.401 0.423 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534990526 490432005 /nfs/dbraw/zinc/43/20/05/490432005.db2.gz ZFVZTQPQWGYGSO-UHFFFAOYSA-N 1 2 359.386 0.970 20 5 FCBDLO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000468738240 490443690 /nfs/dbraw/zinc/44/36/90/490443690.db2.gz ZVKKCQYELMYYNK-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@@H](CO)[N@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000468738240 490443695 /nfs/dbraw/zinc/44/36/95/490443695.db2.gz ZVKKCQYELMYYNK-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000450118986 490445656 /nfs/dbraw/zinc/44/56/56/490445656.db2.gz WQUKOANOVUYMJD-BXUZGUMPSA-N 1 2 359.342 0.543 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523435465 490463775 /nfs/dbraw/zinc/46/37/75/490463775.db2.gz JKUTVWGIZQGZGL-CYBMUJFWSA-N 1 2 364.402 0.552 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000523435465 490463783 /nfs/dbraw/zinc/46/37/83/490463783.db2.gz JKUTVWGIZQGZGL-CYBMUJFWSA-N 1 2 364.402 0.552 20 5 FCBDLO CNC(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450678335 490484179 /nfs/dbraw/zinc/48/41/79/490484179.db2.gz STWGTZOWYNSADV-GFCCVEGCSA-N 1 2 358.358 0.924 20 5 FCBDLO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000510043455 490487669 /nfs/dbraw/zinc/48/76/69/490487669.db2.gz SWJGMRSJMQSBLJ-UHFFFAOYSA-N 1 2 364.402 0.830 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000535548181 490498672 /nfs/dbraw/zinc/49/86/72/490498672.db2.gz MDCWRCUXBKWTFE-UHFFFAOYSA-N 1 2 361.358 0.516 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523984190 490508019 /nfs/dbraw/zinc/50/80/19/490508019.db2.gz HNKQXZIEUHNXBO-GFCCVEGCSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523984190 490508022 /nfs/dbraw/zinc/50/80/22/490508022.db2.gz HNKQXZIEUHNXBO-GFCCVEGCSA-N 1 2 350.375 0.679 20 5 FCBDLO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000524638004 490547842 /nfs/dbraw/zinc/54/78/42/490547842.db2.gz ARBFGEDIEWGMBH-UHFFFAOYSA-N 1 2 364.402 0.973 20 5 FCBDLO O=C(CCNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000548947530 490556409 /nfs/dbraw/zinc/55/64/09/490556409.db2.gz GIHRAJFHIGMIPY-UHFFFAOYSA-N 1 2 373.373 0.182 20 5 FCBDLO O=C(CO)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000536301947 490566800 /nfs/dbraw/zinc/56/68/00/490566800.db2.gz HXMTZINGHHKCTH-UHFFFAOYSA-N 1 2 359.342 0.057 20 5 FCBDLO CC[C@@H]1C[N@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 ZINC000486029888 490585614 /nfs/dbraw/zinc/58/56/14/490585614.db2.gz PDLPFBWOUARRGY-GFCCVEGCSA-N 1 2 358.420 0.765 20 5 FCBDLO CC[C@@H]1C[N@@H+](CCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCO1 ZINC000486029888 490585618 /nfs/dbraw/zinc/58/56/18/490585618.db2.gz PDLPFBWOUARRGY-GFCCVEGCSA-N 1 2 358.420 0.765 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000536518594 490585917 /nfs/dbraw/zinc/58/59/17/490585917.db2.gz UJCWFGAPAXETAQ-GFCCVEGCSA-N 1 2 362.386 0.841 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511637717 490610922 /nfs/dbraw/zinc/61/09/22/490610922.db2.gz BTVHVVVVJFPXFD-LBPRGKRZSA-N 1 2 370.431 0.842 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511637717 490610926 /nfs/dbraw/zinc/61/09/26/490610926.db2.gz BTVHVVVVJFPXFD-LBPRGKRZSA-N 1 2 370.431 0.842 20 5 FCBDLO CN(CC(=O)Nc1cc[nH+]cc1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000512016307 490651203 /nfs/dbraw/zinc/65/12/03/490651203.db2.gz CUYSBLNYSDYZME-UHFFFAOYSA-N 1 2 366.355 0.377 20 5 FCBDLO CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000513821415 490750072 /nfs/dbraw/zinc/75/00/72/490750072.db2.gz ILBUSWORZVINIL-NSHDSACASA-N 1 2 364.383 0.940 20 5 FCBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000515476115 490827887 /nfs/dbraw/zinc/82/78/87/490827887.db2.gz JVMAOXQFXGDWEW-RWSFTLGLSA-N 1 2 353.375 0.606 20 5 FCBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000515476115 490827890 /nfs/dbraw/zinc/82/78/90/490827890.db2.gz JVMAOXQFXGDWEW-RWSFTLGLSA-N 1 2 353.375 0.606 20 5 FCBDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC000542011607 490882413 /nfs/dbraw/zinc/88/24/13/490882413.db2.gz UEMQVBYAYZBKSU-FPMFFAJLSA-N 1 2 356.379 0.100 20 5 FCBDLO C[C@H]([C@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000542764099 490907649 /nfs/dbraw/zinc/90/76/49/490907649.db2.gz BIDBNJTUOZFZTM-WDEREUQCSA-N 1 2 358.420 0.763 20 5 FCBDLO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542999225 490918023 /nfs/dbraw/zinc/91/80/23/490918023.db2.gz VXQMSEBJEPQUJE-LLVKDONJSA-N 1 2 366.374 0.379 20 5 FCBDLO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000542999225 490918024 /nfs/dbraw/zinc/91/80/24/490918024.db2.gz VXQMSEBJEPQUJE-LLVKDONJSA-N 1 2 366.374 0.379 20 5 FCBDLO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000517940743 490925157 /nfs/dbraw/zinc/92/51/57/490925157.db2.gz SQIGZIXLFBSGSO-LLVKDONJSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000517940743 490925159 /nfs/dbraw/zinc/92/51/59/490925159.db2.gz SQIGZIXLFBSGSO-LLVKDONJSA-N 1 2 350.375 0.679 20 5 FCBDLO CNC(=O)[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 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0.248 20 5 FCBDLO CC(C)Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814302 1218319413 /nfs/dbraw/zinc/31/94/13/1218319413.db2.gz DFRVNCGLLXCJSK-LXTVHRRPSA-N 1 2 362.434 0.490 20 5 FCBDLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814302 1218319419 /nfs/dbraw/zinc/31/94/19/1218319419.db2.gz DFRVNCGLLXCJSK-LXTVHRRPSA-N 1 2 362.434 0.490 20 5 FCBDLO O=C1NCC2(CC[NH+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)O1 ZINC000780156235 1218648508 /nfs/dbraw/zinc/64/85/08/1218648508.db2.gz DCVQWADHLOOQSD-ZDUSSCGKSA-N 1 2 374.353 0.801 20 5 FCBDLO NC(=O)C1CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726582773 1219649804 /nfs/dbraw/zinc/64/98/04/1219649804.db2.gz IPUXOMUEFFJAFZ-UHFFFAOYSA-N 1 2 361.358 0.518 20 5 FCBDLO CCn1ccnc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098363873 1219767387 /nfs/dbraw/zinc/76/73/87/1219767387.db2.gz DVYXQBPFVSTZFT-HUUCEWRRSA-N 1 2 365.434 0.354 20 5 FCBDLO 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O=C(OCCCN1C(=O)CNC1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835452498 1222602521 /nfs/dbraw/zinc/60/25/21/1222602521.db2.gz PQRNSSVXKDTGSK-UHFFFAOYSA-N 1 2 373.325 0.879 20 5 FCBDLO [NH3+][C@@H]1NCN(C(=O)c2ccc3oc4ccccc4c(=O)c3c2)[C@H]2NCN[C@H]21 ZINC001153427026 1222975155 /nfs/dbraw/zinc/97/51/55/1222975155.db2.gz PNXMKNICVLLPRX-CGTJXYLNSA-N 1 2 365.393 0.079 20 5 FCBDLO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001159434024 1223126964 /nfs/dbraw/zinc/12/69/64/1223126964.db2.gz VQCJDWHJHCCCFH-IXDOHACOSA-N 1 2 374.441 0.543 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nccc(C(=O)OC)c2[N+](=O)[O-])cn1 ZINC001163412454 1223229685 /nfs/dbraw/zinc/22/96/85/1223229685.db2.gz NVIOJHHVUDGDLI-NSHDSACASA-N 1 2 363.330 0.395 20 5 FCBDLO COCCc1nc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001164494858 1223239179 /nfs/dbraw/zinc/23/91/79/1223239179.db2.gz WCTZPOBMNDUQFA-VXGBXAGGSA-N 1 2 367.406 0.300 20 5 FCBDLO CCNC(=O)NC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194463 1245394106 /nfs/dbraw/zinc/39/41/06/1245394106.db2.gz NSGJTZRZBZTARH-UHFFFAOYSA-N 1 2 361.314 0.783 20 5 FCBDLO O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000996589371 1251400047 /nfs/dbraw/zinc/40/00/47/1251400047.db2.gz XYUXYXSDKHILEY-HUUCEWRRSA-N 1 2 355.354 0.478 20 5 FCBDLO Cn1c(=O)oc2ccc(C[NH+]3CC(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)cc21 ZINC001031662844 1253881511 /nfs/dbraw/zinc/88/15/11/1253881511.db2.gz NMSYDDMBRXRADA-CHWSQXEVSA-N 1 2 360.370 0.345 20 5 FCBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001329685054 1265814300 /nfs/dbraw/zinc/81/43/00/1265814300.db2.gz UWQDKOQLMIPOGQ-CQSZACIVSA-N 1 2 371.397 0.923 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001335932326 1259907423 /nfs/dbraw/zinc/90/74/23/1259907423.db2.gz LIBANGONTHXUMH-GFCCVEGCSA-N 1 2 359.386 0.685 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001335932326 1259907428 /nfs/dbraw/zinc/90/74/28/1259907428.db2.gz LIBANGONTHXUMH-GFCCVEGCSA-N 1 2 359.386 0.685 20 5 FCBDLO NC(=O)c1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC001311244025 1263252884 /nfs/dbraw/zinc/25/28/84/1263252884.db2.gz SWXVPAQZVCHESL-GFCCVEGCSA-N 1 2 363.374 0.632 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC001323395110 1264420051 /nfs/dbraw/zinc/42/00/51/1264420051.db2.gz KMVPDCDAXGWCBC-LBPRGKRZSA-N 1 2 362.390 0.352 20 5 FCBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001326612772 1265143104 /nfs/dbraw/zinc/14/31/04/1265143104.db2.gz WIPROTZHTNNYGS-UHFFFAOYSA-N 1 2 359.390 0.648 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])c(N)n2)n1C ZINC001344342029 1270156579 /nfs/dbraw/zinc/15/65/79/1270156579.db2.gz KOIGQNAGOYEEBE-UHFFFAOYSA-N 1 2 362.394 0.136 20 5 FCBDLO Nc1c([N+](=O)[O-])ccc(NCC2([NH+]3CCOCC3)CC2)c1-c1nn[nH]n1 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351.359 0.817 20 5 FCBDLO Cn1ncc2c1nc(N1CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C1)[nH+]c2N ZINC000302905452 488893061 /nfs/dbraw/zinc/89/30/61/488893061.db2.gz VUNOQHPETKSNRL-VIFPVBQESA-N 1 2 355.362 0.940 20 5 FCBDLO O=C(NC1CC1)c1ccc(NCCC[N@@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000278808921 488897105 /nfs/dbraw/zinc/89/71/05/488897105.db2.gz RZRMCSNUZCYANC-UHFFFAOYSA-N 1 2 361.402 0.721 20 5 FCBDLO O=C(NC1CC1)c1ccc(NCCC[N@H+]2CCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000278808921 488897107 /nfs/dbraw/zinc/89/71/07/488897107.db2.gz RZRMCSNUZCYANC-UHFFFAOYSA-N 1 2 361.402 0.721 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278870456 488901662 /nfs/dbraw/zinc/90/16/62/488901662.db2.gz RVZZQNWXGIZLCZ-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278870456 488901665 /nfs/dbraw/zinc/90/16/65/488901665.db2.gz RVZZQNWXGIZLCZ-NWDGAFQWSA-N 1 2 373.431 0.679 20 5 FCBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000321515520 488901776 /nfs/dbraw/zinc/90/17/76/488901776.db2.gz PFJYUNZJMKBZPG-UHFFFAOYSA-N 1 2 363.823 0.983 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000279372741 488936603 /nfs/dbraw/zinc/93/66/03/488936603.db2.gz SRXJJSTXGHVXAF-CYBMUJFWSA-N 1 2 364.402 0.504 20 5 FCBDLO CCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029669643 487728895 /nfs/dbraw/zinc/72/88/95/487728895.db2.gz FAVSJIDZZWVHHY-ZDUSSCGKSA-N 1 2 363.418 0.676 20 5 FCBDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000041625378 487835290 /nfs/dbraw/zinc/83/52/90/487835290.db2.gz RTZKMGBSAAFXGP-GFCCVEGCSA-N 1 2 370.431 0.795 20 5 FCBDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000041625378 487835294 /nfs/dbraw/zinc/83/52/94/487835294.db2.gz RTZKMGBSAAFXGP-GFCCVEGCSA-N 1 2 370.431 0.795 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000052670579 488176124 /nfs/dbraw/zinc/17/61/24/488176124.db2.gz IQGQQBALPSFHEW-GFCCVEGCSA-N 1 2 356.404 0.207 20 5 FCBDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000052670579 488176127 /nfs/dbraw/zinc/17/61/27/488176127.db2.gz IQGQQBALPSFHEW-GFCCVEGCSA-N 1 2 356.404 0.207 20 5 FCBDLO CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066118087 488325333 /nfs/dbraw/zinc/32/53/33/488325333.db2.gz ZDRSEQCHHWGZEM-UHFFFAOYSA-N 1 2 350.375 0.115 20 5 FCBDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000067716731 488355213 /nfs/dbraw/zinc/35/52/13/488355213.db2.gz WLZNQOPEIGDLAY-UHFFFAOYSA-N 1 2 371.415 0.773 20 5 FCBDLO CCS(=O)(=O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068066119 488359829 /nfs/dbraw/zinc/35/98/29/488359829.db2.gz KOMANXAEJOQXDU-UHFFFAOYSA-N 1 2 352.372 0.945 20 5 FCBDLO COc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000268287356 488404731 /nfs/dbraw/zinc/40/47/31/488404731.db2.gz SPSDFZSIGGSXIC-UHFFFAOYSA-N 1 2 359.404 0.604 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000077674665 488416197 /nfs/dbraw/zinc/41/61/97/488416197.db2.gz QDHANGBKXOWIOB-CQSZACIVSA-N 1 2 360.374 0.204 20 5 FCBDLO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000077674665 488416198 /nfs/dbraw/zinc/41/61/98/488416198.db2.gz QDHANGBKXOWIOB-CQSZACIVSA-N 1 2 360.374 0.204 20 5 FCBDLO CCc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000092827722 488476287 /nfs/dbraw/zinc/47/62/87/488476287.db2.gz RMSPQAULYXQYAS-LLVKDONJSA-N 1 2 350.423 0.680 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249190730 488507394 /nfs/dbraw/zinc/50/73/94/488507394.db2.gz PENVFTJLGBTEAX-KGLIPLIRSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249190730 488507395 /nfs/dbraw/zinc/50/73/95/488507395.db2.gz PENVFTJLGBTEAX-KGLIPLIRSA-N 1 2 371.459 0.854 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261954934 488543756 /nfs/dbraw/zinc/54/37/56/488543756.db2.gz GOVYJMUTMAUPDI-ZDUSSCGKSA-N 1 2 365.415 0.972 20 5 FCBDLO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000271955406 488555644 /nfs/dbraw/zinc/55/56/44/488555644.db2.gz BXXFMGSHKFGAKP-JSGCOSHPSA-N 1 2 373.431 0.300 20 5 FCBDLO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O ZINC000271955406 488555646 /nfs/dbraw/zinc/55/56/46/488555646.db2.gz BXXFMGSHKFGAKP-JSGCOSHPSA-N 1 2 373.431 0.300 20 5 FCBDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)cn1 ZINC000119640356 488558239 /nfs/dbraw/zinc/55/82/39/488558239.db2.gz IBRZUCLVIAYUJE-UHFFFAOYSA-N 1 2 361.406 0.893 20 5 FCBDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)cn1 ZINC000119640356 488558240 /nfs/dbraw/zinc/55/82/40/488558240.db2.gz IBRZUCLVIAYUJE-UHFFFAOYSA-N 1 2 361.406 0.893 20 5 FCBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272593603 488590765 /nfs/dbraw/zinc/59/07/65/488590765.db2.gz GIBPFRRODHDKTO-LLVKDONJSA-N 1 2 350.375 0.886 20 5 FCBDLO COc1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272853206 488611531 /nfs/dbraw/zinc/61/15/31/488611531.db2.gz QROIGGFBJSYABT-ZDUSSCGKSA-N 1 2 368.390 0.760 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000126756088 488612076 /nfs/dbraw/zinc/61/20/76/488612076.db2.gz GVEGGXOMBZYIFE-AWEZNQCLSA-N 1 2 363.418 0.668 20 5 FCBDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272945129 488619449 /nfs/dbraw/zinc/61/94/49/488619449.db2.gz PMVNHWDFQVODEP-UHFFFAOYSA-N 1 2 366.374 0.333 20 5 FCBDLO Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000127935091 488620740 /nfs/dbraw/zinc/62/07/40/488620740.db2.gz XMCJZYFXFXTJHK-UHFFFAOYSA-N 1 2 362.430 0.880 20 5 FCBDLO O=C(CCn1cc[nH+]c1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273272470 488641470 /nfs/dbraw/zinc/64/14/70/488641470.db2.gz BYPBJPMCUXHHHE-UHFFFAOYSA-N 1 2 352.372 0.772 20 5 FCBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000131670922 488647691 /nfs/dbraw/zinc/64/76/91/488647691.db2.gz STZJIUQQPUGENV-UHFFFAOYSA-N 1 2 369.341 0.732 20 5 FCBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000264202466 488654299 /nfs/dbraw/zinc/65/42/99/488654299.db2.gz URXLNKJFNJAFRU-UHFFFAOYSA-N 1 2 360.370 0.502 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)CC(OC)OC ZINC000273568225 488658934 /nfs/dbraw/zinc/65/89/34/488658934.db2.gz FPLUJRJIHBCLDY-UHFFFAOYSA-N 1 2 371.390 0.845 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)CC(OC)OC ZINC000273568225 488658937 /nfs/dbraw/zinc/65/89/37/488658937.db2.gz FPLUJRJIHBCLDY-UHFFFAOYSA-N 1 2 371.390 0.845 20 5 FCBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264311511 488662778 /nfs/dbraw/zinc/66/27/78/488662778.db2.gz NVURXPVKHRJSPU-UHFFFAOYSA-N 1 2 363.378 0.349 20 5 FCBDLO CCCc1n[nH]c(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1[N+](=O)[O-] ZINC000264588545 488687958 /nfs/dbraw/zinc/68/79/58/488687958.db2.gz ANZBXPWVQMHLGU-UHFFFAOYSA-N 1 2 352.395 0.164 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000267003174 488752092 /nfs/dbraw/zinc/75/20/92/488752092.db2.gz GABNGAGMIKAIGS-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000155348505 488754941 /nfs/dbraw/zinc/75/49/41/488754941.db2.gz GJZQKTTXGMBNMA-AWEZNQCLSA-N 1 2 359.386 0.991 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000267188825 488768242 /nfs/dbraw/zinc/76/82/42/488768242.db2.gz XYRCPUXIQOLXRU-UHFFFAOYSA-N 1 2 368.365 0.521 20 5 FCBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000277842642 488790119 /nfs/dbraw/zinc/79/01/19/488790119.db2.gz IWXAVZGTHFNMDX-UHFFFAOYSA-N 1 2 372.385 0.770 20 5 FCBDLO CCOC(=O)c1ccnc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c1[N+](=O)[O-] ZINC000267530757 488794591 /nfs/dbraw/zinc/79/45/91/488794591.db2.gz VQEXZYGUFZXKSM-UHFFFAOYSA-N 1 2 365.390 0.552 20 5 FCBDLO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000170358654 488813697 /nfs/dbraw/zinc/81/36/97/488813697.db2.gz BMPFGTVYVKZYFO-UHFFFAOYSA-N 1 2 356.766 0.323 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000172798446 488838504 /nfs/dbraw/zinc/83/85/04/488838504.db2.gz JDTHCAWOGAROJK-UHFFFAOYSA-N 1 2 369.381 0.636 20 5 FCBDLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000172798446 488838506 /nfs/dbraw/zinc/83/85/06/488838506.db2.gz JDTHCAWOGAROJK-UHFFFAOYSA-N 1 2 369.381 0.636 20 5 FCBDLO O=C(c1ccccn1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173193780 488841512 /nfs/dbraw/zinc/84/15/12/488841512.db2.gz WOROMDMILJXLCW-CQSZACIVSA-N 1 2 360.374 0.005 20 5 FCBDLO O=C(C1CCCCC1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174759138 488851080 /nfs/dbraw/zinc/85/10/80/488851080.db2.gz SJALYDJINCIEQG-MRXNPFEDSA-N 1 2 365.434 0.877 20 5 FCBDLO C[C@@H](N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000178283607 488860318 /nfs/dbraw/zinc/86/03/18/488860318.db2.gz BVLSTYIFHCTNRY-ZYHUDNBSSA-N 1 2 351.329 0.721 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365883345 489123125 /nfs/dbraw/zinc/12/31/25/489123125.db2.gz NOELETATOPYGIH-CYBMUJFWSA-N 1 2 366.422 0.859 20 5 FCBDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528143 489172269 /nfs/dbraw/zinc/17/22/69/489172269.db2.gz URFYVIIXGVVQCX-TZMCWYRMSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282528143 489172270 /nfs/dbraw/zinc/17/22/70/489172270.db2.gz URFYVIIXGVVQCX-TZMCWYRMSA-N 1 2 369.443 0.761 20 5 FCBDLO COc1cc(C[NH2+][C@]2(C(N)=O)CCOC2)c([N+](=O)[O-])cc1OC(F)F ZINC000563357943 491239109 /nfs/dbraw/zinc/23/91/09/491239109.db2.gz METLGNRYULWJIB-CQSZACIVSA-N 1 2 361.301 0.939 20 5 FCBDLO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298017152 489278399 /nfs/dbraw/zinc/27/83/99/489278399.db2.gz DFCWMJPLUZDWDF-UHFFFAOYSA-N 1 2 374.357 0.882 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298499816 489331854 /nfs/dbraw/zinc/33/18/54/489331854.db2.gz KBDRMTBUGOUQEA-AAEUAGOBSA-N 1 2 367.358 0.540 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298499816 489331855 /nfs/dbraw/zinc/33/18/55/489331855.db2.gz KBDRMTBUGOUQEA-AAEUAGOBSA-N 1 2 367.358 0.540 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000298521286 489334299 /nfs/dbraw/zinc/33/42/99/489334299.db2.gz UFROKRKTNVTPSR-UHFFFAOYSA-N 1 2 357.370 0.496 20 5 FCBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000298749762 489360242 /nfs/dbraw/zinc/36/02/42/489360242.db2.gz MAGUWFKLLNTQQI-LLVKDONJSA-N 1 2 355.416 0.950 20 5 FCBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000298749762 489360245 /nfs/dbraw/zinc/36/02/45/489360245.db2.gz MAGUWFKLLNTQQI-LLVKDONJSA-N 1 2 355.416 0.950 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000361982773 489370952 /nfs/dbraw/zinc/37/09/52/489370952.db2.gz VUICBEAZYSJCHQ-GXTWGEPZSA-N 1 2 355.416 0.815 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000362334219 489383486 /nfs/dbraw/zinc/38/34/86/489383486.db2.gz GJPBDSGLEXOGNT-NSHDSACASA-N 1 2 359.404 0.736 20 5 FCBDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000362334219 489383487 /nfs/dbraw/zinc/38/34/87/489383487.db2.gz GJPBDSGLEXOGNT-NSHDSACASA-N 1 2 359.404 0.736 20 5 FCBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298928291 489383770 /nfs/dbraw/zinc/38/37/70/489383770.db2.gz CIXOCLLTARWULY-UHFFFAOYSA-N 1 2 351.407 0.939 20 5 FCBDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298928291 489383773 /nfs/dbraw/zinc/38/37/73/489383773.db2.gz CIXOCLLTARWULY-UHFFFAOYSA-N 1 2 351.407 0.939 20 5 FCBDLO O=C(C[NH+]1[C@@H](CO)CC[C@@H]1CO)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000287280040 489474719 /nfs/dbraw/zinc/47/47/19/489474719.db2.gz IBZZBPVUCFWGNM-NXEZZACHSA-N 1 2 353.331 0.080 20 5 FCBDLO Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000426498848 489571603 /nfs/dbraw/zinc/57/16/03/489571603.db2.gz VONWHGWLRUGCOJ-UHFFFAOYSA-N 1 2 374.386 0.933 20 5 FCBDLO CNc1nc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455985372 489604119 /nfs/dbraw/zinc/60/41/19/489604119.db2.gz AGZNALMEVTZZSC-NSHDSACASA-N 1 2 365.390 0.741 20 5 FCBDLO CNc1nc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455985372 489604123 /nfs/dbraw/zinc/60/41/23/489604123.db2.gz AGZNALMEVTZZSC-NSHDSACASA-N 1 2 365.390 0.741 20 5 FCBDLO Cc1nn(CCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[N+](=O)[O-] ZINC000456220717 489611088 /nfs/dbraw/zinc/61/10/88/489611088.db2.gz WZJBPFVOVVEYCE-OKILXGFUSA-N 1 2 351.407 0.778 20 5 FCBDLO Cc1nn(CCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[N+](=O)[O-] ZINC000456220717 489611090 /nfs/dbraw/zinc/61/10/90/489611090.db2.gz WZJBPFVOVVEYCE-OKILXGFUSA-N 1 2 351.407 0.778 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000416575164 489612511 /nfs/dbraw/zinc/61/25/11/489612511.db2.gz AJCARURNIQHTPR-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+](C)C1 ZINC000416575164 489612513 /nfs/dbraw/zinc/61/25/13/489612513.db2.gz AJCARURNIQHTPR-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO CS(=O)(=O)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000456959204 489630260 /nfs/dbraw/zinc/63/02/60/489630260.db2.gz WBKDSKAXFVDTQZ-UHFFFAOYSA-N 1 2 350.356 0.650 20 5 FCBDLO Cn1c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000457981156 489664855 /nfs/dbraw/zinc/66/48/55/489664855.db2.gz OCUNEFLFDZZAOC-UHFFFAOYSA-N 1 2 352.391 0.545 20 5 FCBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N(CCO)CC[NH+]1CCOCC1 ZINC000489035008 489691635 /nfs/dbraw/zinc/69/16/35/489691635.db2.gz KUFXOUGJAWCUIA-UHFFFAOYSA-N 1 2 366.418 0.473 20 5 FCBDLO Cc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469343961 489703709 /nfs/dbraw/zinc/70/37/09/489703709.db2.gz STFRGTKRBKMAKI-UHFFFAOYSA-N 1 2 353.360 0.546 20 5 FCBDLO COCCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000475678899 489841846 /nfs/dbraw/zinc/84/18/46/489841846.db2.gz CWPWTCZZZUEUSE-CQSZACIVSA-N 1 2 367.402 0.515 20 5 FCBDLO CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433486115 489888753 /nfs/dbraw/zinc/88/87/53/489888753.db2.gz DDMWOAJMFXPCPA-CYBMUJFWSA-N 1 2 360.374 0.385 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494720935 489908373 /nfs/dbraw/zinc/90/83/73/489908373.db2.gz QTZGACFGLYUGPD-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494720935 489908378 /nfs/dbraw/zinc/90/83/78/489908378.db2.gz QTZGACFGLYUGPD-RISCZKNCSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494747737 489911422 /nfs/dbraw/zinc/91/14/22/489911422.db2.gz UYNZMFDHFGDZPI-CQSZACIVSA-N 1 2 370.431 0.571 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494747737 489911425 /nfs/dbraw/zinc/91/14/25/489911425.db2.gz UYNZMFDHFGDZPI-CQSZACIVSA-N 1 2 370.431 0.571 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494871122 489917988 /nfs/dbraw/zinc/91/79/88/489917988.db2.gz NGNJIAIZGCOUKG-CYBMUJFWSA-N 1 2 366.422 0.859 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000494871122 489917991 /nfs/dbraw/zinc/91/79/91/489917991.db2.gz NGNJIAIZGCOUKG-CYBMUJFWSA-N 1 2 366.422 0.859 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377643278 489936466 /nfs/dbraw/zinc/93/64/66/489936466.db2.gz DAQKANWIMIZBIO-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000377643278 489936467 /nfs/dbraw/zinc/93/64/67/489936467.db2.gz DAQKANWIMIZBIO-FZMZJTMJSA-N 1 2 370.431 0.935 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434981328 489971569 /nfs/dbraw/zinc/97/15/69/489971569.db2.gz JMULSUWVINCFGI-HNNXBMFYSA-N 1 2 366.418 0.467 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000434981328 489971571 /nfs/dbraw/zinc/97/15/71/489971571.db2.gz JMULSUWVINCFGI-HNNXBMFYSA-N 1 2 366.418 0.467 20 5 FCBDLO CNc1c(C(=O)N(CCO)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000462766032 489991606 /nfs/dbraw/zinc/99/16/06/489991606.db2.gz TYOWJCXIXHAASM-UHFFFAOYSA-N 1 2 352.391 0.403 20 5 FCBDLO CN(CC(C)(CO)CO)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000477821682 489992301 /nfs/dbraw/zinc/99/23/01/489992301.db2.gz GUPFUKLUVNUGMT-UHFFFAOYSA-N 1 2 353.419 0.854 20 5 FCBDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)c[nH+]2)CCO1 ZINC000478062423 490003586 /nfs/dbraw/zinc/00/35/86/490003586.db2.gz WCIAVULBUVSIRO-LLVKDONJSA-N 1 2 360.374 0.878 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)c1 ZINC000420896360 490029754 /nfs/dbraw/zinc/02/97/54/490029754.db2.gz ADTXPJRSPZGDLG-XBXGTLAGSA-N 1 2 355.416 0.672 20 5 FCBDLO CCCCNC(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421021846 490043941 /nfs/dbraw/zinc/04/39/41/490043941.db2.gz OLZHGFMPTVCIMN-UHFFFAOYSA-N 1 2 372.447 0.721 20 5 FCBDLO CCCCNC(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421021846 490043945 /nfs/dbraw/zinc/04/39/45/490043945.db2.gz OLZHGFMPTVCIMN-UHFFFAOYSA-N 1 2 372.447 0.721 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497048385 490135967 /nfs/dbraw/zinc/13/59/67/490135967.db2.gz CWURSKSLKBTADR-CYBMUJFWSA-N 1 2 353.375 0.369 20 5 FCBDLO Cc1[nH]c(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000520395142 490141748 /nfs/dbraw/zinc/14/17/48/490141748.db2.gz BKSSYJSHKPHXRC-UHFFFAOYSA-N 1 2 353.360 0.335 20 5 FCBDLO C[C@@](O)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000546063621 490182946 /nfs/dbraw/zinc/18/29/46/490182946.db2.gz JUUYKJBMZNTKNR-OAHLLOKOSA-N 1 2 373.431 0.097 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466945822 490232834 /nfs/dbraw/zinc/23/28/34/490232834.db2.gz FYRPBIWEIJFMJL-WDEREUQCSA-N 1 2 365.390 0.934 20 5 FCBDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466945822 490232838 /nfs/dbraw/zinc/23/28/38/490232838.db2.gz FYRPBIWEIJFMJL-WDEREUQCSA-N 1 2 365.390 0.934 20 5 FCBDLO CCOC(=O)C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000533515959 490245712 /nfs/dbraw/zinc/24/57/12/490245712.db2.gz XMOBHPIPQUYAAJ-MRXNPFEDSA-N 1 2 374.397 0.843 20 5 FCBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000533499827 490245818 /nfs/dbraw/zinc/24/58/18/490245818.db2.gz WOYHLEOZNXLGDX-KGLIPLIRSA-N 1 2 364.402 0.516 20 5 FCBDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521376830 490254867 /nfs/dbraw/zinc/25/48/67/490254867.db2.gz OPBQLZTVXJRIBJ-SNVBAGLBSA-N 1 2 357.388 0.691 20 5 FCBDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000521376830 490254872 /nfs/dbraw/zinc/25/48/72/490254872.db2.gz OPBQLZTVXJRIBJ-SNVBAGLBSA-N 1 2 357.388 0.691 20 5 FCBDLO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000522526760 490384157 /nfs/dbraw/zinc/38/41/57/490384157.db2.gz DGVGKALMENDCJF-LLVKDONJSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000522526760 490384163 /nfs/dbraw/zinc/38/41/63/490384163.db2.gz DGVGKALMENDCJF-LLVKDONJSA-N 1 2 350.375 0.679 20 5 FCBDLO 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LWYAUVTVLGADCB-UHFFFAOYSA-N 1 2 368.419 0.464 20 5 FCBDLO CN(CC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1)c1ccc(S(N)(=O)=O)cc1 ZINC000840110945 669509730 /nfs/dbraw/zinc/50/97/30/669509730.db2.gz LWYAUVTVLGADCB-UHFFFAOYSA-N 1 2 368.419 0.464 20 5 FCBDLO COc1nscc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812129 675898247 /nfs/dbraw/zinc/89/82/47/675898247.db2.gz BMDLJFZWSFHQHT-LYIQGSDWSA-N 1 2 352.416 0.707 20 5 FCBDLO COc1nscc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812129 675898248 /nfs/dbraw/zinc/89/82/48/675898248.db2.gz BMDLJFZWSFHQHT-LYIQGSDWSA-N 1 2 352.416 0.707 20 5 FCBDLO O=C(NN1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000862731577 672070492 /nfs/dbraw/zinc/07/04/92/672070492.db2.gz QSBUXNRRMLXXRS-UHFFFAOYSA-N 1 2 365.371 0.156 20 5 FCBDLO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cccs1 ZINC001055507798 676021858 /nfs/dbraw/zinc/02/18/58/676021858.db2.gz WDEQAJNTJIJDSX-CHWSQXEVSA-N 1 2 366.443 0.724 20 5 FCBDLO CC(C)n1ncnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001398166 676070904 /nfs/dbraw/zinc/07/09/04/676070904.db2.gz ARUXOVRGBUVZPZ-ZIAGYGMSSA-N 1 2 350.423 0.852 20 5 FCBDLO O=[N+]([O-])c1ccn(CCN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000176189697 1171183851 /nfs/dbraw/zinc/18/38/51/1171183851.db2.gz AMLLEZCIAUEMDT-UHFFFAOYSA-N 1 2 364.366 0.214 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCCC1 ZINC001025777409 1182823578 /nfs/dbraw/zinc/82/35/78/1182823578.db2.gz LXSRRZVSCZNVDY-GAGVYUBLSA-N 1 2 364.446 0.537 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777184 1182833032 /nfs/dbraw/zinc/83/30/32/1182833032.db2.gz LDTQZWMARMWWGS-SSZWKKLZSA-N 1 2 369.381 0.948 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)no3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777184 1182833034 /nfs/dbraw/zinc/83/30/34/1182833034.db2.gz LDTQZWMARMWWGS-SSZWKKLZSA-N 1 2 369.381 0.948 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776859 1182833276 /nfs/dbraw/zinc/83/32/76/1182833276.db2.gz HACUJSHSKQSZJJ-QEGBUVANSA-N 1 2 359.342 0.541 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3nnc(-c4ccco4)o3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776859 1182833278 /nfs/dbraw/zinc/83/32/78/1182833278.db2.gz HACUJSHSKQSZJJ-QEGBUVANSA-N 1 2 359.342 0.541 20 5 FCBDLO CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21 ZINC000976517069 1185968367 /nfs/dbraw/zinc/96/83/67/1185968367.db2.gz MOPMOCNTRLFISQ-VVSAWPALSA-N 1 2 361.402 0.245 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC000979801765 1186122756 /nfs/dbraw/zinc/12/27/56/1186122756.db2.gz MDTKPWIOVCKOJX-NMFUWQPSSA-N 1 2 371.397 0.933 20 5 FCBDLO Cc1cnc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)o1 ZINC000949091854 1186486026 /nfs/dbraw/zinc/48/60/26/1186486026.db2.gz HEXFWQRPZPVWSJ-ZIAGYGMSSA-N 1 2 364.402 0.842 20 5 FCBDLO Cn1c[nH+]cc1CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000793251824 1201231261 /nfs/dbraw/zinc/23/12/61/1201231261.db2.gz ISDAQOWCSABYJK-UHFFFAOYSA-N 1 2 358.310 0.710 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000807281050 1202816599 /nfs/dbraw/zinc/81/65/99/1202816599.db2.gz QMULXUIKMZBXGL-ZDUSSCGKSA-N 1 2 372.341 0.499 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000807281339 1202816887 /nfs/dbraw/zinc/81/68/87/1202816887.db2.gz RKKHUBXUVSXDIF-JTQLQIEISA-N 1 2 362.298 0.492 20 5 FCBDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273322 1208489178 /nfs/dbraw/zinc/48/91/78/1208489178.db2.gz AETUSGOJSPFUND-GUYCJALGSA-N 1 2 362.430 0.913 20 5 FCBDLO Cn1ccc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)n1 ZINC000949091758 1212289087 /nfs/dbraw/zinc/28/90/87/1212289087.db2.gz DKFUWZWITSZLLS-HUUCEWRRSA-N 1 2 363.418 0.279 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C[NH+]1CCN(C2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000827457028 1216603636 /nfs/dbraw/zinc/60/36/36/1216603636.db2.gz UDWXLDLRBXFPQW-UHFFFAOYSA-N 1 2 364.450 0.765 20 5 FCBDLO CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001069487111 1216792501 /nfs/dbraw/zinc/79/25/01/1216792501.db2.gz HIEGREYIDFDUOR-ZIAGYGMSSA-N 1 2 363.418 0.515 20 5 FCBDLO Cc1[nH+]ccn1CCCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067385403 1217389529 /nfs/dbraw/zinc/38/95/29/1217389529.db2.gz AEMYVFZSBAMTML-HUUCEWRRSA-N 1 2 365.434 0.944 20 5 FCBDLO NC(=O)C[NH+]1CCC(N(Cc2ccccn2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001048628324 1218301035 /nfs/dbraw/zinc/30/10/35/1218301035.db2.gz VYOWCVSZVKWQMA-HUUCEWRRSA-N 1 2 361.402 0.025 20 5 FCBDLO Cn1c[nH+]cc1CCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073012926 1219631752 /nfs/dbraw/zinc/63/17/52/1219631752.db2.gz JZNDCFSYXBCTCP-ZIAGYGMSSA-N 1 2 363.418 0.515 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nnc3n2CC[N@@H+](CCF)C3)CC1 ZINC001074110115 1219684790 /nfs/dbraw/zinc/68/47/90/1219684790.db2.gz UXZPUKMPXJLOFC-CHWSQXEVSA-N 1 2 366.397 0.434 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nnc3n2CC[N@H+](CCF)C3)CC1 ZINC001074110115 1219684793 /nfs/dbraw/zinc/68/47/93/1219684793.db2.gz UXZPUKMPXJLOFC-CHWSQXEVSA-N 1 2 366.397 0.434 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000839802493 1222757510 /nfs/dbraw/zinc/75/75/10/1222757510.db2.gz WHHQYMFBTHUOMP-UHFFFAOYSA-N 1 2 366.418 0.905 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](Cc2c[nH+]cn2C)C(=O)OC)n1 ZINC001160700775 1223169196 /nfs/dbraw/zinc/16/91/96/1223169196.db2.gz POGROADLKOIFJM-LLVKDONJSA-N 1 2 363.330 0.706 20 5 FCBDLO O=C(OCCN1CCOCC1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785291590 1245309264 /nfs/dbraw/zinc/30/92/64/1245309264.db2.gz HZXOOQAKKUYVIE-UHFFFAOYSA-N 1 2 360.326 0.796 20 5 FCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000896956180 1245465083 /nfs/dbraw/zinc/46/50/83/1245465083.db2.gz QBNLBBOIIOSEFA-MRXNPFEDSA-N 1 2 370.413 0.569 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC001328489575 1265560236 /nfs/dbraw/zinc/56/02/36/1265560236.db2.gz CIGVOSQIIHOIOK-ZDUSSCGKSA-N 1 2 365.342 0.359 20 5 FCBDLO Cc1c[nH+]c2cc(C(=O)NCC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)ccn12 ZINC001002067765 1252427532 /nfs/dbraw/zinc/42/75/32/1252427532.db2.gz VLWVOUXWKXAIHS-ZIAGYGMSSA-N 1 2 357.370 0.496 20 5 FCBDLO COCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001034644994 1253999241 /nfs/dbraw/zinc/99/92/41/1253999241.db2.gz PIKMNEZRYZTTBJ-FDYHWXHSSA-N 1 2 367.406 0.441 20 5 FCBDLO O=C(NCc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034815749 1254004692 /nfs/dbraw/zinc/00/46/92/1254004692.db2.gz DRUZICKWIOZTAP-HUUCEWRRSA-N 1 2 371.401 0.579 20 5 FCBDLO CCn1ncnc1C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186925 1254021154 /nfs/dbraw/zinc/02/11/54/1254021154.db2.gz LNKPRDAPAQNNQL-ZIAGYGMSSA-N 1 2 362.434 0.778 20 5 FCBDLO CCn1ncnc1C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186925 1254021164 /nfs/dbraw/zinc/02/11/64/1254021164.db2.gz LNKPRDAPAQNNQL-ZIAGYGMSSA-N 1 2 362.434 0.778 20 5 FCBDLO Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730382 1254133613 /nfs/dbraw/zinc/13/36/13/1254133613.db2.gz JOHXFJSWBZBACY-KBUPBQIOSA-N 1 2 363.418 0.648 20 5 FCBDLO O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060767051 1254137461 /nfs/dbraw/zinc/13/74/61/1254137461.db2.gz OMDAWSLFJNAMCJ-KBUPBQIOSA-N 1 2 363.418 0.730 20 5 FCBDLO COCCCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001107168005 1259035293 /nfs/dbraw/zinc/03/52/93/1259035293.db2.gz PTUJTKNOKCNJPP-HUUCEWRRSA-N 1 2 366.422 0.233 20 5 FCBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001339156778 1268177527 /nfs/dbraw/zinc/17/75/27/1268177527.db2.gz NAJCGQMJZQPKAQ-UHFFFAOYSA-N 1 2 357.326 0.944 20 5 FCBDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001343814651 1270019467 /nfs/dbraw/zinc/01/94/67/1270019467.db2.gz LZVVSZDNFKLGAK-UHFFFAOYSA-N 1 2 371.353 0.954 20 5 FCBDLO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579186924 1276955341 /nfs/dbraw/zinc/95/53/41/1276955341.db2.gz OAAZHHWBFBZGAD-DGCLKSJQSA-N 1 2 363.353 0.219 20 5 FCBDLO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1F ZINC001579186924 1276955344 /nfs/dbraw/zinc/95/53/44/1276955344.db2.gz OAAZHHWBFBZGAD-DGCLKSJQSA-N 1 2 363.353 0.219 20 5 FCBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589746379 1282973877 /nfs/dbraw/zinc/97/38/77/1282973877.db2.gz OPVQEKBYQROPHU-CYBMUJFWSA-N 1 2 350.379 0.993 20 5 FCBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589746379 1282973885 /nfs/dbraw/zinc/97/38/85/1282973885.db2.gz OPVQEKBYQROPHU-CYBMUJFWSA-N 1 2 350.379 0.993 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001590197803 1283308678 /nfs/dbraw/zinc/30/86/78/1283308678.db2.gz SFGAMTMZDNMFHD-JQWIXIFHSA-N 1 2 374.405 0.657 20 5 FCBDLO Cc1nc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001592327657 1285236016 /nfs/dbraw/zinc/23/60/16/1285236016.db2.gz KVDHCIADRGXMLI-UHFFFAOYSA-N 1 2 370.377 0.524 20 5 FCBDLO Nc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592759876 1285682176 /nfs/dbraw/zinc/68/21/76/1285682176.db2.gz JGXWZOOTSWXWOX-UHFFFAOYSA-N 1 2 356.350 0.407 20 5 FCBDLO O=C(CCn1cc[nH+]c1)NCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592860117 1285763493 /nfs/dbraw/zinc/76/34/93/1285763493.db2.gz HUCWSBOEJHOUAJ-UHFFFAOYSA-N 1 2 371.361 0.590 20 5 FCBDLO O=C1OCC[C@@H]1[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001593414957 1286139251 /nfs/dbraw/zinc/13/92/51/1286139251.db2.gz QHJCRBMFXAEHMC-LBPRGKRZSA-N 1 2 374.361 0.362 20 5 FCBDLO CC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001602947905 1287169275 /nfs/dbraw/zinc/16/92/75/1287169275.db2.gz WYCLMUFCWGWZNT-UHFFFAOYSA-N 1 2 360.378 0.033 20 5 FCBDLO Cn1cc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC001609479335 1289173581 /nfs/dbraw/zinc/17/35/81/1289173581.db2.gz HUYDXJWERSFYBY-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO CN(CC[N@H+](C)Cc1cc(-c2cnn(C)c2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699002210 1289543561 /nfs/dbraw/zinc/54/35/61/1289543561.db2.gz RJHCOXPLJFSOFK-UKRRQHHQSA-N 1 2 362.390 0.631 20 5 FCBDLO CN(CC[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699002210 1289543566 /nfs/dbraw/zinc/54/35/66/1289543566.db2.gz RJHCOXPLJFSOFK-UKRRQHHQSA-N 1 2 362.390 0.631 20 5 FCBDLO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001690134135 1294861322 /nfs/dbraw/zinc/86/13/22/1294861322.db2.gz GTVSHGQMHODOBY-HUUCEWRRSA-N 1 2 352.435 0.587 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746465635 836183428 /nfs/dbraw/zinc/18/34/28/836183428.db2.gz ZGJYHBFTCPKPEO-ZJWNCGCPSA-N 1 2 368.459 0.918 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000749973333 836398006 /nfs/dbraw/zinc/39/80/06/836398006.db2.gz YRSKPUNLCQNYGS-CYBMUJFWSA-N 1 2 353.404 0.916 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000749973333 836398018 /nfs/dbraw/zinc/39/80/18/836398018.db2.gz YRSKPUNLCQNYGS-CYBMUJFWSA-N 1 2 353.404 0.916 20 5 FCBDLO Cc1nnsc1C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364695 843910424 /nfs/dbraw/zinc/91/04/24/843910424.db2.gz ABCVSPSNZOQGPP-CHWSQXEVSA-N 1 2 369.447 0.297 20 5 FCBDLO Cc1nnsc1C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364695 843910429 /nfs/dbraw/zinc/91/04/29/843910429.db2.gz ABCVSPSNZOQGPP-CHWSQXEVSA-N 1 2 369.447 0.297 20 5 FCBDLO CC(C)OCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001105707093 845017713 /nfs/dbraw/zinc/01/77/13/845017713.db2.gz MPEOQWYKSXWHIV-HZPDHXFCSA-N 1 2 355.435 0.768 20 5 FCBDLO Cn1cc[nH+]c1CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001123997699 848664789 /nfs/dbraw/zinc/66/47/89/848664789.db2.gz PZSGWKRLNQUMCG-UHFFFAOYSA-N 1 2 363.399 0.878 20 5 FCBDLO C[NH+](C)C=Cc1cc(Nc2c(O)[nH]c(=O)[nH]c2=S)ncc1[N+](=O)[O-] ZINC001160854609 850206211 /nfs/dbraw/zinc/20/62/11/850206211.db2.gz XHXYRCIQPGYZQR-HMDXOVGESA-N 1 2 350.360 0.469 20 5 FCBDLO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cnns2)CC1 ZINC001162264708 850303576 /nfs/dbraw/zinc/30/35/76/850303576.db2.gz UHEAFSRBZRLXIR-CHWSQXEVSA-N 1 2 369.447 0.548 20 5 FCBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2nc(OC)nc(C)c2[N+](=O)[O-])cn1 ZINC001163412265 850366326 /nfs/dbraw/zinc/36/63/26/850366326.db2.gz LBDLFYVMAQIPIR-JTQLQIEISA-N 1 2 350.335 0.320 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001324933757 869721812 /nfs/dbraw/zinc/72/18/12/869721812.db2.gz RAJXUANSJFBMKF-SNVBAGLBSA-N 1 2 372.784 0.996 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001324933757 869721817 /nfs/dbraw/zinc/72/18/17/869721817.db2.gz RAJXUANSJFBMKF-SNVBAGLBSA-N 1 2 372.784 0.996 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001327087380 870660536 /nfs/dbraw/zinc/66/05/36/870660536.db2.gz NBSAGSNYKRCLCC-ZDUSSCGKSA-N 1 2 351.359 0.509 20 5 FCBDLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293206698 214154577 /nfs/dbraw/zinc/15/45/77/214154577.db2.gz RAJTXVZTHCTCLO-QGZVFWFLSA-N 1 2 365.386 0.667 20 5 FCBDLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293206693 214154966 /nfs/dbraw/zinc/15/49/66/214154966.db2.gz RAJTXVZTHCTCLO-KRWDZBQOSA-N 1 2 365.386 0.667 20 5 FCBDLO COC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000265940601 210253550 /nfs/dbraw/zinc/25/35/50/210253550.db2.gz FUPYWWHSWSRURQ-GFCCVEGCSA-N 1 2 373.431 0.945 20 5 FCBDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295714590 214313976 /nfs/dbraw/zinc/31/39/76/214313976.db2.gz KKEGALAREIPLNY-NSHDSACASA-N 1 2 354.382 0.939 20 5 FCBDLO C[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000298902430 214628641 /nfs/dbraw/zinc/62/86/41/214628641.db2.gz CKSYAERPRLZVRT-UHFFFAOYSA-N 1 2 358.301 0.909 20 5 FCBDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000413227031 529852469 /nfs/dbraw/zinc/85/24/69/529852469.db2.gz AJEXERSWSPQXJF-GFCCVEGCSA-N 1 2 359.386 0.765 20 5 FCBDLO C[N@H+](CC(N)=O)C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCO1 ZINC000413227031 529852470 /nfs/dbraw/zinc/85/24/70/529852470.db2.gz 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363.422 0.490 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000107629644 222398294 /nfs/dbraw/zinc/39/82/94/222398294.db2.gz WLHRTLJLZICCLA-NSHDSACASA-N 1 2 351.359 0.817 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000028484685 487710110 /nfs/dbraw/zinc/71/01/10/487710110.db2.gz OAQMPCSVSOATDD-INIZCTEOSA-N 1 2 359.386 0.981 20 5 FCBDLO CCS(=O)(=O)NCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032242041 487769389 /nfs/dbraw/zinc/76/93/89/487769389.db2.gz SVWWTDCNGVHVMM-UHFFFAOYSA-N 1 2 367.387 0.450 20 5 FCBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000032432465 487775163 /nfs/dbraw/zinc/77/51/63/487775163.db2.gz OTAMKYRZJAGRIQ-UHFFFAOYSA-N 1 2 372.385 0.818 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032542965 487777166 /nfs/dbraw/zinc/77/71/66/487777166.db2.gz PISRWMBQZVSWCV-UHFFFAOYSA-N 1 2 363.418 0.548 20 5 FCBDLO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000051013268 488119594 /nfs/dbraw/zinc/11/95/94/488119594.db2.gz WDEIYGYVBNCEFY-OAHLLOKOSA-N 1 2 359.386 0.981 20 5 FCBDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424230 488132038 /nfs/dbraw/zinc/13/20/38/488132038.db2.gz PYURHOAZMJLZJU-DZGCQCFKSA-N 1 2 363.418 0.796 20 5 FCBDLO CNS(=O)(=O)c1ccc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000052208242 488160333 /nfs/dbraw/zinc/16/03/33/488160333.db2.gz JOCNIRLRJZEISK-NSHDSACASA-N 1 2 358.420 0.636 20 5 FCBDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1[N+](=O)[O-] ZINC000057062043 488265636 /nfs/dbraw/zinc/26/56/36/488265636.db2.gz QLEFYTXKXCAFRM-UHFFFAOYSA-N 1 2 356.386 0.937 20 5 FCBDLO COc1cc(OCC(=O)N2CCC[N@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000070822140 488375598 /nfs/dbraw/zinc/37/55/98/488375598.db2.gz YZMHDACLWGLEIN-UHFFFAOYSA-N 1 2 366.374 0.002 20 5 FCBDLO COc1cc(OCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000070822140 488375599 /nfs/dbraw/zinc/37/55/99/488375599.db2.gz YZMHDACLWGLEIN-UHFFFAOYSA-N 1 2 366.374 0.002 20 5 FCBDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000268291423 488404957 /nfs/dbraw/zinc/40/49/57/488404957.db2.gz VCBRIVRQDAVUDV-CHWSQXEVSA-N 1 2 366.418 0.761 20 5 FCBDLO NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000268411269 488416173 /nfs/dbraw/zinc/41/61/73/488416173.db2.gz UXJKHJXCUCJJKB-SMDDNHRTSA-N 1 2 359.342 0.543 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078622564 488423635 /nfs/dbraw/zinc/42/36/35/488423635.db2.gz RWGXVQRSFFJGQY-UHFFFAOYSA-N 1 2 357.370 0.994 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078622564 488423636 /nfs/dbraw/zinc/42/36/36/488423636.db2.gz RWGXVQRSFFJGQY-UHFFFAOYSA-N 1 2 357.370 0.994 20 5 FCBDLO CCc1nn(C)c(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000092827213 488476449 /nfs/dbraw/zinc/47/64/49/488476449.db2.gz HYMXLLPTENRDSK-UHFFFAOYSA-N 1 2 350.423 0.635 20 5 FCBDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261939917 488543156 /nfs/dbraw/zinc/54/31/56/488543156.db2.gz DNQWZNIWVVAZRW-AWEZNQCLSA-N 1 2 365.415 0.805 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000262136196 488552672 /nfs/dbraw/zinc/55/26/72/488552672.db2.gz YSBWSTPFOHIAAR-ZDUSSCGKSA-N 1 2 365.415 0.972 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272299305 488571838 /nfs/dbraw/zinc/57/18/38/488571838.db2.gz IIYRYKUCPDBYJN-JTQLQIEISA-N 1 2 362.298 0.561 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272299305 488571839 /nfs/dbraw/zinc/57/18/39/488571839.db2.gz IIYRYKUCPDBYJN-JTQLQIEISA-N 1 2 362.298 0.561 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273070512 488629747 /nfs/dbraw/zinc/62/97/47/488629747.db2.gz ZPGFOOAIGPPAJJ-WBMJQRKESA-N 1 2 362.386 0.925 20 5 FCBDLO C[C@H]([C@H](C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264242115 488657543 /nfs/dbraw/zinc/65/75/43/488657543.db2.gz BQTISZHUGXYOKA-QWHCGFSZSA-N 1 2 364.402 0.550 20 5 FCBDLO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000264317068 488663426 /nfs/dbraw/zinc/66/34/26/488663426.db2.gz PEFDBMIIRDCZEW-UHFFFAOYSA-N 1 2 361.362 0.361 20 5 FCBDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000264336256 488665268 /nfs/dbraw/zinc/66/52/68/488665268.db2.gz OSBWAFBBQXWAIN-NWDGAFQWSA-N 1 2 350.375 0.759 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000273929101 488675191 /nfs/dbraw/zinc/67/51/91/488675191.db2.gz KIMGTYMSVXOJNP-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000273929101 488675193 /nfs/dbraw/zinc/67/51/93/488675193.db2.gz KIMGTYMSVXOJNP-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO CN1CC[NH+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)CC1 ZINC000136036225 488675947 /nfs/dbraw/zinc/67/59/47/488675947.db2.gz LCBHRZVRUJMKKL-UHFFFAOYSA-N 1 2 358.402 0.995 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264609383 488689984 /nfs/dbraw/zinc/68/99/84/488689984.db2.gz HKMCMUXAGZGZQV-NSHDSACASA-N 1 2 370.431 0.935 20 5 FCBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000151666637 488708457 /nfs/dbraw/zinc/70/84/57/488708457.db2.gz PZJQAEDPWGNGJS-UHFFFAOYSA-N 1 2 359.390 0.714 20 5 FCBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N(CCO)CC[NH+]1CCOCC1 ZINC000152416861 488717641 /nfs/dbraw/zinc/71/76/41/488717641.db2.gz SLKRRDBKSCUNCS-UHFFFAOYSA-N 1 2 371.821 0.944 20 5 FCBDLO COc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000264846660 488718911 /nfs/dbraw/zinc/71/89/11/488718911.db2.gz KJUQZSVYIFTYGM-UHFFFAOYSA-N 1 2 361.445 0.931 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000266982803 488750315 /nfs/dbraw/zinc/75/03/15/488750315.db2.gz ZREYQCPEYYUFSO-NSHDSACASA-N 1 2 367.406 0.980 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1[N+](=O)[O-] ZINC000266982803 488750317 /nfs/dbraw/zinc/75/03/17/488750317.db2.gz ZREYQCPEYYUFSO-NSHDSACASA-N 1 2 367.406 0.980 20 5 FCBDLO Cn1cc([C@H](CO)[NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cn1 ZINC000275260475 488777795 /nfs/dbraw/zinc/77/77/95/488777795.db2.gz ZYXFUXWPSMLCKW-NSHDSACASA-N 1 2 363.330 0.319 20 5 FCBDLO O=C(NCC1([NH+]2CCOCC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277824262 488789720 /nfs/dbraw/zinc/78/97/20/488789720.db2.gz HVAXPLFVVJAWGJ-UHFFFAOYSA-N 1 2 363.370 0.961 20 5 FCBDLO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000160369305 488790962 /nfs/dbraw/zinc/79/09/62/488790962.db2.gz OYRABUHYFFRAIN-NSHDSACASA-N 1 2 361.395 0.981 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000267547572 488796441 /nfs/dbraw/zinc/79/64/41/488796441.db2.gz ANNVPICPJXSVRP-CYBMUJFWSA-N 1 2 352.391 0.158 20 5 FCBDLO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267601867 488803056 /nfs/dbraw/zinc/80/30/56/488803056.db2.gz LUFRPTSWHSBYIS-MRXNPFEDSA-N 1 2 367.402 0.586 20 5 FCBDLO COC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267770273 488818943 /nfs/dbraw/zinc/81/89/43/488818943.db2.gz SCUZBFOUMHRLBI-AWEZNQCLSA-N 1 2 360.326 0.795 20 5 FCBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000173136084 488841394 /nfs/dbraw/zinc/84/13/94/488841394.db2.gz SJUJQPKZWWKRJB-UHFFFAOYSA-N 1 2 370.413 0.866 20 5 FCBDLO O=C(C1CCCCC1)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174759147 488851211 /nfs/dbraw/zinc/85/12/11/488851211.db2.gz SJALYDJINCIEQG-INIZCTEOSA-N 1 2 365.434 0.877 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280626134 489022373 /nfs/dbraw/zinc/02/23/73/489022373.db2.gz GKFXHVZALYFNAC-SJORKVTESA-N 1 2 371.397 0.903 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280626134 489022374 /nfs/dbraw/zinc/02/23/74/489022374.db2.gz GKFXHVZALYFNAC-SJORKVTESA-N 1 2 371.397 0.903 20 5 FCBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000281357334 489069830 /nfs/dbraw/zinc/06/98/30/489069830.db2.gz FMBDZDXKVODRTR-UHFFFAOYSA-N 1 2 366.374 0.069 20 5 FCBDLO Cn1c2[nH]c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)nc2c(=O)n(C)c1=O ZINC000282363656 489157961 /nfs/dbraw/zinc/15/79/61/489157961.db2.gz DOFQZSWLHKBTTF-UHFFFAOYSA-N 1 2 372.385 0.543 20 5 FCBDLO Cn1c2[nH]c(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)nc2c(=O)n(C)c1=O ZINC000282363656 489157963 /nfs/dbraw/zinc/15/79/63/489157963.db2.gz DOFQZSWLHKBTTF-UHFFFAOYSA-N 1 2 372.385 0.543 20 5 FCBDLO COc1cc(OCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000366475238 489186786 /nfs/dbraw/zinc/18/67/86/489186786.db2.gz RMLVJUBEYCMVIW-ZDUSSCGKSA-N 1 2 365.386 0.915 20 5 FCBDLO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283116757 489217326 /nfs/dbraw/zinc/21/73/26/489217326.db2.gz HFDREDHNHYMXPI-LBPRGKRZSA-N 1 2 371.415 0.449 20 5 FCBDLO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000283116757 489217329 /nfs/dbraw/zinc/21/73/29/489217329.db2.gz HFDREDHNHYMXPI-LBPRGKRZSA-N 1 2 371.415 0.449 20 5 FCBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000297708418 489227685 /nfs/dbraw/zinc/22/76/85/489227685.db2.gz BFTXMTJKWBHHDS-CYBMUJFWSA-N 1 2 364.402 0.987 20 5 FCBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285504893 489319166 /nfs/dbraw/zinc/31/91/66/489319166.db2.gz NLMVVFASUJHSBA-LBPRGKRZSA-N 1 2 359.390 0.653 20 5 FCBDLO COCc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000298515116 489333867 /nfs/dbraw/zinc/33/38/67/489333867.db2.gz RCVQSSKAQSWAFI-UHFFFAOYSA-N 1 2 370.387 0.797 20 5 FCBDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298633591 489347435 /nfs/dbraw/zinc/34/74/35/489347435.db2.gz OZMZVJKTVWXPTJ-SNVBAGLBSA-N 1 2 370.793 0.712 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000286182831 489366422 /nfs/dbraw/zinc/36/64/22/489366422.db2.gz AOZGKGUMJNQMAR-FZMZJTMJSA-N 1 2 370.431 0.542 20 5 FCBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN([C@H]3CCOC3)CC2)c1 ZINC000362218328 489379026 /nfs/dbraw/zinc/37/90/26/489379026.db2.gz KUNQLABOPCLSEM-HOTGVXAUSA-N 1 2 351.403 0.741 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000370853528 489412588 /nfs/dbraw/zinc/41/25/88/489412588.db2.gz DWIKYPWXYZNSFD-ZDUSSCGKSA-N 1 2 370.329 0.507 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082242 489421438 /nfs/dbraw/zinc/42/14/38/489421438.db2.gz SGUAICXLXOLFPG-CHWSQXEVSA-N 1 2 351.407 0.942 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363082242 489421440 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668346657 /nfs/dbraw/zinc/34/66/57/668346657.db2.gz VYQCBGGKSAXNGM-UHFFFAOYSA-N 1 2 370.387 0.535 20 5 FCBDLO COC(=O)Cc1ccc(N2CCC[N@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000827430712 669567225 /nfs/dbraw/zinc/56/72/25/669567225.db2.gz PYOILKDHCZGAES-UHFFFAOYSA-N 1 2 350.375 0.308 20 5 FCBDLO COC(=O)Cc1ccc(N2CCC[N@@H+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000827430712 669567227 /nfs/dbraw/zinc/56/72/27/669567227.db2.gz PYOILKDHCZGAES-UHFFFAOYSA-N 1 2 350.375 0.308 20 5 FCBDLO COC(=O)Nc1ccc(S(=O)(=O)NCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000809850334 669646134 /nfs/dbraw/zinc/64/61/34/669646134.db2.gz BNJRIFIFMCHXKU-UHFFFAOYSA-N 1 2 369.359 0.985 20 5 FCBDLO COC(=O)/C(C)=C\C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817288766 670006623 /nfs/dbraw/zinc/00/66/23/670006623.db2.gz MKTBSFISUJXNGG-WQLSENKSSA-N 1 2 371.415 0.924 20 5 FCBDLO COC(=O)/C(C)=C\C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817288766 670006625 /nfs/dbraw/zinc/00/66/25/670006625.db2.gz MKTBSFISUJXNGG-WQLSENKSSA-N 1 2 371.415 0.924 20 5 FCBDLO O=C(NN1CCS(=O)(=O)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000862737563 672075093 /nfs/dbraw/zinc/07/50/93/672075093.db2.gz YDTDGRUEHMHQBK-UHFFFAOYSA-N 1 2 365.371 0.156 20 5 FCBDLO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccns1 ZINC001055586365 676025336 /nfs/dbraw/zinc/02/53/36/676025336.db2.gz SJUOXKCILLKXHZ-VXGBXAGGSA-N 1 2 367.431 0.119 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000119856093 675440472 /nfs/dbraw/zinc/44/04/72/675440472.db2.gz BILDIHXTCCOYMC-LLVKDONJSA-N 1 2 362.477 0.818 20 5 FCBDLO NS(=O)(=O)c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000801441048 675785326 /nfs/dbraw/zinc/78/53/26/675785326.db2.gz ODGCYZWNLUGMTG-UHFFFAOYSA-N 1 2 354.344 0.686 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000784917964 1167796965 /nfs/dbraw/zinc/79/69/65/1167796965.db2.gz JQNLXNYVZNWVER-ZDUSSCGKSA-N 1 2 365.386 0.979 20 5 FCBDLO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063929 1170551450 /nfs/dbraw/zinc/55/14/50/1170551450.db2.gz POMIPVUSPYBBNP-AYRXBEOTSA-N 1 2 356.386 0.669 20 5 FCBDLO Cc1oncc1C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001087256861 1180334442 /nfs/dbraw/zinc/33/44/42/1180334442.db2.gz OZOGLXHMLFAEQB-VXGBXAGGSA-N 1 2 362.346 0.050 20 5 FCBDLO Cc1nocc1C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001087257088 1180336318 /nfs/dbraw/zinc/33/63/18/1180336318.db2.gz ZMZKWRHKZDIBLX-VXGBXAGGSA-N 1 2 362.346 0.050 20 5 FCBDLO C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000978817318 1186009651 /nfs/dbraw/zinc/00/96/51/1186009651.db2.gz WXDSYQLUFNBSLK-IQOUGMIPSA-N 1 2 365.390 0.026 20 5 FCBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C(=O)NC)cc2)C1 ZINC000950051962 1186254506 /nfs/dbraw/zinc/25/45/06/1186254506.db2.gz BGBFPNSSMGFXCI-HZPDHXFCSA-N 1 2 360.414 0.744 20 5 FCBDLO O=C(N[C@H]1C[C@H](C[NH2+]Cc2noc(-c3ccoc3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983656499 1188249929 /nfs/dbraw/zinc/24/99/29/1188249929.db2.gz CZIULNJNVYICAA-OJAKKHQRSA-N 1 2 361.358 0.979 20 5 FCBDLO COc1ccc(-c2nnc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])o2)cc1 ZINC001126943071 1194950709 /nfs/dbraw/zinc/95/07/09/1194950709.db2.gz JTJUCQSSSQGJBA-CHWSQXEVSA-N 1 2 361.358 0.616 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2nc(-c3ccccc3)no2)c1 ZINC000592432110 1196622068 /nfs/dbraw/zinc/62/20/68/1196622068.db2.gz ORCWXSUEBDCCHQ-KBPBESRZSA-N 1 2 374.357 0.525 20 5 FCBDLO CN1C[C@H]([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1=O ZINC000593993317 1196845829 /nfs/dbraw/zinc/84/58/29/1196845829.db2.gz XFDMAEAWUUBYRL-SNVBAGLBSA-N 1 2 364.358 0.815 20 5 FCBDLO CN1C[C@H]([N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1=O ZINC000593993317 1196845831 /nfs/dbraw/zinc/84/58/31/1196845831.db2.gz XFDMAEAWUUBYRL-SNVBAGLBSA-N 1 2 364.358 0.815 20 5 FCBDLO Nc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000761707020 1197771697 /nfs/dbraw/zinc/77/16/97/1197771697.db2.gz NLKCFGYXFPNHOT-AWEZNQCLSA-N 1 2 364.402 0.740 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000770473245 1200453240 /nfs/dbraw/zinc/45/32/40/1200453240.db2.gz IKBFSAIPWFUGES-LLVKDONJSA-N 1 2 362.390 0.991 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000770473245 1200453249 /nfs/dbraw/zinc/45/32/49/1200453249.db2.gz IKBFSAIPWFUGES-LLVKDONJSA-N 1 2 362.390 0.991 20 5 FCBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000805479572 1202991842 /nfs/dbraw/zinc/99/18/42/1202991842.db2.gz ROIOCSRVWVUYLY-OAHLLOKOSA-N 1 2 363.370 0.748 20 5 FCBDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000805479572 1202991845 /nfs/dbraw/zinc/99/18/45/1202991845.db2.gz ROIOCSRVWVUYLY-OAHLLOKOSA-N 1 2 363.370 0.748 20 5 FCBDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000846121332 1204587585 /nfs/dbraw/zinc/58/75/85/1204587585.db2.gz BNKTVFNGJXIXBC-SUMWQHHRSA-N 1 2 374.397 0.799 20 5 FCBDLO CC(C)CN(C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001195769314 1208037774 /nfs/dbraw/zinc/03/77/74/1208037774.db2.gz KCERCUUXVBJUTR-HZPDHXFCSA-N 1 2 366.462 0.833 20 5 FCBDLO CC(C)CN(C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001195769314 1208037777 /nfs/dbraw/zinc/03/77/77/1208037777.db2.gz KCERCUUXVBJUTR-HZPDHXFCSA-N 1 2 366.462 0.833 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776273486 1208489288 /nfs/dbraw/zinc/48/92/88/1208489288.db2.gz BZWVTYMMRWEMLH-INIZCTEOSA-N 1 2 366.418 0.008 20 5 FCBDLO O=C(CCc1[nH]cc[nH+]1)N1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000952713558 1212972153 /nfs/dbraw/zinc/97/21/53/1212972153.db2.gz OZLOLWYGMATGRX-XJFOESAGSA-N 1 2 361.402 0.599 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001010738621 1213812909 /nfs/dbraw/zinc/81/29/09/1213812909.db2.gz BLRQUTUZYWVNNZ-ZIAGYGMSSA-N 1 2 361.402 0.079 20 5 FCBDLO Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c(F)c2)[nH]1 ZINC001001523762 1216233221 /nfs/dbraw/zinc/23/32/21/1216233221.db2.gz ODPPCUOPLCSSQJ-TZMCWYRMSA-N 1 2 362.365 0.823 20 5 FCBDLO CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001069341418 1216784885 /nfs/dbraw/zinc/78/48/85/1216784885.db2.gz QSWSKJRDHVZCLW-CHWSQXEVSA-N 1 2 363.418 0.895 20 5 FCBDLO CC(C)c1[nH+]ccn1CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067389703 1217399152 /nfs/dbraw/zinc/39/91/52/1217399152.db2.gz LHEGTTICXNXAHX-ZIAGYGMSSA-N 1 2 365.434 0.979 20 5 FCBDLO CCn1ncnc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525200 1218278115 /nfs/dbraw/zinc/27/81/15/1218278115.db2.gz OTXNRIYTSLKZDP-XLWJZTARSA-N 1 2 362.434 0.822 20 5 FCBDLO CCn1ncnc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525200 1218278119 /nfs/dbraw/zinc/27/81/19/1218278119.db2.gz OTXNRIYTSLKZDP-XLWJZTARSA-N 1 2 362.434 0.822 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cc4n(n3)CCCC4)C[C@@H]2C1 ZINC001048814471 1218318441 /nfs/dbraw/zinc/31/84/41/1218318441.db2.gz NFIFGZJCTORRCR-DLTLXFJOSA-N 1 2 359.430 0.775 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cc4n(n3)CCCC4)C[C@@H]2C1 ZINC001048814471 1218318447 /nfs/dbraw/zinc/31/84/47/1218318447.db2.gz NFIFGZJCTORRCR-DLTLXFJOSA-N 1 2 359.430 0.775 20 5 FCBDLO O=C(Cc1c[nH+]c[nH]1)N(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1 ZINC001055110775 1219000564 /nfs/dbraw/zinc/00/05/64/1219000564.db2.gz PAWSJRFEFOGIFG-HZPDHXFCSA-N 1 2 371.397 0.762 20 5 FCBDLO O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331496 1219028278 /nfs/dbraw/zinc/02/82/78/1219028278.db2.gz JBSHXLOOVZLUQX-LXTVHRRPSA-N 1 2 361.402 0.245 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001118280936 1221749806 /nfs/dbraw/zinc/74/98/06/1221749806.db2.gz BNDYOKAUMWQMEG-HNNXBMFYSA-N 1 2 373.369 0.758 20 5 FCBDLO COc1ccc([C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[NH2+]2)cc1 ZINC001150941175 1222912249 /nfs/dbraw/zinc/91/22/49/1222912249.db2.gz CCHQGHMJXIHJLR-HNNXBMFYSA-N 1 2 372.381 0.938 20 5 FCBDLO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001160691586 1223168595 /nfs/dbraw/zinc/16/85/95/1223168595.db2.gz TVBKBBBTKFIGEA-LBPRGKRZSA-N 1 2 363.330 0.706 20 5 FCBDLO Nc1cc([N+](=O)[O-])cnc1N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001165881945 1223260423 /nfs/dbraw/zinc/26/04/23/1223260423.db2.gz TZRYWANFMJWWDU-UHFFFAOYSA-N 1 2 355.362 0.819 20 5 FCBDLO Cc1cn(C(C)(C)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c[nH+]1 ZINC000976477002 1248224891 /nfs/dbraw/zinc/22/48/91/1248224891.db2.gz IKQDQEMGUKHSKG-RGDJUOJXSA-N 1 2 361.402 0.165 20 5 FCBDLO O=C(NCC1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001810799 1252356390 /nfs/dbraw/zinc/35/63/90/1252356390.db2.gz SFHMJALDSQBHMK-UKRRQHHQSA-N 1 2 370.369 0.121 20 5 FCBDLO O=C(C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2)N1CCCCC1 ZINC001035704657 1254056497 /nfs/dbraw/zinc/05/64/97/1254056497.db2.gz VSOZNHQXMBNAKH-HUUCEWRRSA-N 1 2 364.446 0.589 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730543 1254134240 /nfs/dbraw/zinc/13/42/40/1254134240.db2.gz PKJURCFDVAODPE-QHSBEEBCSA-N 1 2 363.418 0.419 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC001261491983 1260148971 /nfs/dbraw/zinc/14/89/71/1260148971.db2.gz MYXOOIDYYAMMBP-ZDUSSCGKSA-N 1 2 367.358 0.346 20 5 FCBDLO Cn1c(-c2[nH]cnc2[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001263484920 1260351181 /nfs/dbraw/zinc/35/11/81/1260351181.db2.gz KPZBWCFRFIJFEP-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001304091295 1263127747 /nfs/dbraw/zinc/12/77/47/1263127747.db2.gz ULXHZHIIRVTQSA-GFCCVEGCSA-N 1 2 361.358 0.655 20 5 FCBDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001304091295 1263127751 /nfs/dbraw/zinc/12/77/51/1263127751.db2.gz ULXHZHIIRVTQSA-GFCCVEGCSA-N 1 2 361.358 0.655 20 5 FCBDLO COCCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001307803230 1263201821 /nfs/dbraw/zinc/20/18/21/1263201821.db2.gz APXHNNYGZRBXIR-CQSZACIVSA-N 1 2 367.402 0.377 20 5 FCBDLO CC(C)(C)NC(=O)CNC(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001308000857 1263207994 /nfs/dbraw/zinc/20/79/94/1263207994.db2.gz XTVVZPURFNALLO-KRWDZBQOSA-N 1 2 366.418 0.423 20 5 FCBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001340661170 1268616543 /nfs/dbraw/zinc/61/65/43/1268616543.db2.gz UKQMDHDRPLVDES-GFCCVEGCSA-N 1 2 361.358 0.491 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590196015 1283303466 /nfs/dbraw/zinc/30/34/66/1283303466.db2.gz FXUAKIUUAMJIGY-JQWIXIFHSA-N 1 2 360.378 0.469 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001593470041 1286172724 /nfs/dbraw/zinc/17/27/24/1286172724.db2.gz DFKSZZOGYFEBIZ-UHFFFAOYSA-N 1 2 362.350 0.031 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC001593470041 1286172726 /nfs/dbraw/zinc/17/27/26/1286172726.db2.gz DFKSZZOGYFEBIZ-UHFFFAOYSA-N 1 2 362.350 0.031 20 5 FCBDLO O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CC[NH+](CCCCO)CC1 ZINC001593487222 1286176202 /nfs/dbraw/zinc/17/62/02/1286176202.db2.gz FTNVKFLDFOKAGE-UHFFFAOYSA-N 1 2 353.408 0.731 20 5 FCBDLO O=c1[nH]nc(C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)[nH]1 ZINC001609605021 1289260375 /nfs/dbraw/zinc/26/03/75/1289260375.db2.gz CSABWLPXAVGJAZ-UHFFFAOYSA-N 1 2 371.361 0.978 20 5 FCBDLO CN(Cc1cccs1)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690939561 1294894590 /nfs/dbraw/zinc/89/45/90/1294894590.db2.gz DKKWPJHXEGUGFH-CHWSQXEVSA-N 1 2 354.432 0.420 20 5 FCBDLO CN(Cc1cccs1)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690939561 1294894603 /nfs/dbraw/zinc/89/46/03/1294894603.db2.gz DKKWPJHXEGUGFH-CHWSQXEVSA-N 1 2 354.432 0.420 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000746471242 836185603 /nfs/dbraw/zinc/18/56/03/836185603.db2.gz YUQRXWGJRGAQKH-XMMPIXPASA-N 1 2 354.432 0.529 20 5 FCBDLO CC(C)Cc1noc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086083127 842118350 /nfs/dbraw/zinc/11/83/50/842118350.db2.gz OLFKNHLOKNPHNO-YVECIDJPSA-N 1 2 351.407 0.918 20 5 FCBDLO Cn1cc(-c2nc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cs2)cn1 ZINC001126949077 848714358 /nfs/dbraw/zinc/71/43/58/848714358.db2.gz LMPSRMQKTBCAKT-VXGBXAGGSA-N 1 2 350.404 0.415 20 5 FCBDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761638 852822937 /nfs/dbraw/zinc/82/29/37/852822937.db2.gz NYUXUZUQYASYNQ-ZIAGYGMSSA-N 1 2 354.451 0.738 20 5 FCBDLO CC(C)(C)CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761638 852822945 /nfs/dbraw/zinc/82/29/45/852822945.db2.gz NYUXUZUQYASYNQ-ZIAGYGMSSA-N 1 2 354.451 0.738 20 5 FCBDLO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001225949390 857074166 /nfs/dbraw/zinc/07/41/66/857074166.db2.gz OPFARLXHXWSFBB-CYBMUJFWSA-N 1 2 370.431 0.762 20 5 FCBDLO CC[N@H+]1CC[C@@H]1CNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001225949390 857074175 /nfs/dbraw/zinc/07/41/75/857074175.db2.gz OPFARLXHXWSFBB-CYBMUJFWSA-N 1 2 370.431 0.762 20 5 FCBDLO C[NH+]1CCN(C2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC001352971543 867309513 /nfs/dbraw/zinc/30/95/13/867309513.db2.gz LXXCBAPGFQIFHC-UHFFFAOYSA-N 1 2 350.423 0.420 20 5 FCBDLO 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372.447 0.778 20 5 FCBDLO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000270700642 211252631 /nfs/dbraw/zinc/25/26/31/211252631.db2.gz JBNJKKBKHXICKP-UHFFFAOYSA-N 1 2 372.385 0.636 20 5 FCBDLO CN(C(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000270633345 211236968 /nfs/dbraw/zinc/23/69/68/211236968.db2.gz ORNOWCRKJPQVJY-UHFFFAOYSA-N 1 2 370.431 0.558 20 5 FCBDLO COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270462819 211206049 /nfs/dbraw/zinc/20/60/49/211206049.db2.gz APCXDAGZVASKLD-HUUCEWRRSA-N 1 2 358.416 0.764 20 5 FCBDLO COCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270462819 211206052 /nfs/dbraw/zinc/20/60/52/211206052.db2.gz APCXDAGZVASKLD-HUUCEWRRSA-N 1 2 358.416 0.764 20 5 FCBDLO CCOc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000270332033 211186465 /nfs/dbraw/zinc/18/64/65/211186465.db2.gz LWKRKANENFMPTN-UHFFFAOYSA-N 1 2 355.391 0.855 20 5 FCBDLO CCOc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000270332033 211186467 /nfs/dbraw/zinc/18/64/67/211186467.db2.gz LWKRKANENFMPTN-UHFFFAOYSA-N 1 2 355.391 0.855 20 5 FCBDLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000481233038 250325484 /nfs/dbraw/zinc/32/54/84/250325484.db2.gz XYXBUNZNFWKYRV-UHFFFAOYSA-N 1 2 371.397 0.990 20 5 FCBDLO NC(=O)NC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000266880667 210427378 /nfs/dbraw/zinc/42/73/78/210427378.db2.gz WYLMOSABVGLYTD-UHFFFAOYSA-N 1 2 365.346 0.395 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000266066599 210276072 /nfs/dbraw/zinc/27/60/72/210276072.db2.gz HONFZPUNZXCZHQ-JTQLQIEISA-N 1 2 352.420 0.735 20 5 FCBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)S1 ZINC000266040030 210271629 /nfs/dbraw/zinc/27/16/29/210271629.db2.gz AIWWMHFTSPCXFW-NSHDSACASA-N 1 2 365.415 0.392 20 5 FCBDLO C[C@@H]1C[N@@H+](CCN(C)c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)O1 ZINC000278579427 488882717 /nfs/dbraw/zinc/88/27/17/488882717.db2.gz CNFKSKGJXLWPDD-TXEJJXNPSA-N 1 2 372.447 0.788 20 5 FCBDLO C[C@@H]1C[N@H+](CCN(C)c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)O1 ZINC000278579427 488882720 /nfs/dbraw/zinc/88/27/20/488882720.db2.gz CNFKSKGJXLWPDD-TXEJJXNPSA-N 1 2 372.447 0.788 20 5 FCBDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000301781754 488884297 /nfs/dbraw/zinc/88/42/97/488884297.db2.gz JCBGYYVXVXWSOL-CQSZACIVSA-N 1 2 363.418 0.668 20 5 FCBDLO C[C@@H]1C[N@@H+](CCN(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000278821107 488898071 /nfs/dbraw/zinc/89/80/71/488898071.db2.gz JFXUWZVXMNNMHM-TXEJJXNPSA-N 1 2 372.447 0.788 20 5 FCBDLO C[C@@H]1C[N@H+](CCN(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000278821107 488898073 /nfs/dbraw/zinc/89/80/73/488898073.db2.gz JFXUWZVXMNNMHM-TXEJJXNPSA-N 1 2 372.447 0.788 20 5 FCBDLO O=C(C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCCC1 ZINC000025194868 487660050 /nfs/dbraw/zinc/66/00/50/487660050.db2.gz ADMVUZMTJBUDRI-UHFFFAOYSA-N 1 2 360.414 0.904 20 5 FCBDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026192049 487679503 /nfs/dbraw/zinc/67/95/03/487679503.db2.gz UUPYABCEVDATOP-LBPRGKRZSA-N 1 2 350.375 0.395 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029529913 487725713 /nfs/dbraw/zinc/72/57/13/487725713.db2.gz FPBYZZIEOIJGNO-CYBMUJFWSA-N 1 2 350.423 0.851 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(SCCO)c([N+](=O)[O-])c2)CC1 ZINC000035708976 487799125 /nfs/dbraw/zinc/79/91/25/487799125.db2.gz MDTKFHILRNXUDX-UHFFFAOYSA-N 1 2 361.445 0.615 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000045056085 487927839 /nfs/dbraw/zinc/92/78/39/487927839.db2.gz FMHPHATVQFZVCS-UHFFFAOYSA-N 1 2 369.385 0.783 20 5 FCBDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424231 488131991 /nfs/dbraw/zinc/13/19/91/488131991.db2.gz PYURHOAZMJLZJU-UKRRQHHQSA-N 1 2 363.418 0.796 20 5 FCBDLO Cc1cc(N2CC[NH+](CC(N)=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057825835 488276464 /nfs/dbraw/zinc/27/64/64/488276464.db2.gz GTDXSEKMLSWCMQ-UHFFFAOYSA-N 1 2 356.386 0.968 20 5 FCBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000061199014 488294616 /nfs/dbraw/zinc/29/46/16/488294616.db2.gz SMQVVNTVGSXOJJ-UHFFFAOYSA-N 1 2 365.394 0.986 20 5 FCBDLO COc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069576677 488373505 /nfs/dbraw/zinc/37/35/05/488373505.db2.gz NGZSSEUWQJEYDJ-CYBMUJFWSA-N 1 2 350.419 0.898 20 5 FCBDLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000183069656 488391004 /nfs/dbraw/zinc/39/10/04/488391004.db2.gz LXICYIBQYJMNBU-GXTWGEPZSA-N 1 2 369.393 0.989 20 5 FCBDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000268291420 488405029 /nfs/dbraw/zinc/40/50/29/488405029.db2.gz VCBRIVRQDAVUDV-BETUJISGSA-N 1 2 366.418 0.761 20 5 FCBDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000268291420 488405030 /nfs/dbraw/zinc/40/50/30/488405030.db2.gz VCBRIVRQDAVUDV-BETUJISGSA-N 1 2 366.418 0.761 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000077180082 488409254 /nfs/dbraw/zinc/40/92/54/488409254.db2.gz CNIHKHRTBARZOU-UHFFFAOYSA-N 1 2 360.374 0.365 20 5 FCBDLO CCc1nn(C)c(NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000094139118 488480537 /nfs/dbraw/zinc/48/05/37/488480537.db2.gz HGZMMIIUEKXSPV-UHFFFAOYSA-N 1 2 360.422 0.915 20 5 FCBDLO COCCNC(=O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255121806 488522413 /nfs/dbraw/zinc/52/24/13/488522413.db2.gz BPLBVBHNGHFYMO-XQRVVYSFSA-N 1 2 362.430 0.988 20 5 FCBDLO COCCNC(=O)CN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255121806 488522416 /nfs/dbraw/zinc/52/24/16/488522416.db2.gz BPLBVBHNGHFYMO-XQRVVYSFSA-N 1 2 362.430 0.988 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000272175292 488566260 /nfs/dbraw/zinc/56/62/60/488566260.db2.gz CKVZMNJNIWQUAH-UHFFFAOYSA-N 1 2 364.358 0.217 20 5 FCBDLO O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272321673 488572793 /nfs/dbraw/zinc/57/27/93/488572793.db2.gz KNUQIJAYSTXBFS-UHFFFAOYSA-N 1 2 372.328 0.748 20 5 FCBDLO O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272321673 488572795 /nfs/dbraw/zinc/57/27/95/488572795.db2.gz KNUQIJAYSTXBFS-UHFFFAOYSA-N 1 2 372.328 0.748 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000122457894 488578887 /nfs/dbraw/zinc/57/88/87/488578887.db2.gz NDIHADLLIZEVOS-VXGBXAGGSA-N 1 2 357.432 0.890 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000122457894 488578890 /nfs/dbraw/zinc/57/88/90/488578890.db2.gz NDIHADLLIZEVOS-VXGBXAGGSA-N 1 2 357.432 0.890 20 5 FCBDLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272426203 488580104 /nfs/dbraw/zinc/58/01/04/488580104.db2.gz RAIWPAWAKKHRQI-AWEZNQCLSA-N 1 2 362.386 0.679 20 5 FCBDLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272426203 488580106 /nfs/dbraw/zinc/58/01/06/488580106.db2.gz RAIWPAWAKKHRQI-AWEZNQCLSA-N 1 2 362.386 0.679 20 5 FCBDLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272426204 488580278 /nfs/dbraw/zinc/58/02/78/488580278.db2.gz RAIWPAWAKKHRQI-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272426204 488580279 /nfs/dbraw/zinc/58/02/79/488580279.db2.gz RAIWPAWAKKHRQI-CQSZACIVSA-N 1 2 362.386 0.679 20 5 FCBDLO COC(=O)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(OC)OC ZINC000272771963 488604683 /nfs/dbraw/zinc/60/46/83/488604683.db2.gz UXGZHZZHEXMAMX-UHFFFAOYSA-N 1 2 369.374 0.678 20 5 FCBDLO COC(=O)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(OC)OC ZINC000272771963 488604685 /nfs/dbraw/zinc/60/46/85/488604685.db2.gz UXGZHZZHEXMAMX-UHFFFAOYSA-N 1 2 369.374 0.678 20 5 FCBDLO Cc1nn(CCC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000263719986 488621491 /nfs/dbraw/zinc/62/14/91/488621491.db2.gz FOOOPGVJSIRDHP-LBPRGKRZSA-N 1 2 352.439 0.550 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000273070508 488629584 /nfs/dbraw/zinc/62/95/84/488629584.db2.gz ZPGFOOAIGPPAJJ-LRDDRELGSA-N 1 2 362.386 0.925 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000263880015 488633412 /nfs/dbraw/zinc/63/34/12/488633412.db2.gz WNTFCAZMAKLNFB-CQSZACIVSA-N 1 2 369.337 0.800 20 5 FCBDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263984975 488641227 /nfs/dbraw/zinc/64/12/27/488641227.db2.gz HKVWLXNWXGIHMX-UHFFFAOYSA-N 1 2 368.371 0.920 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000273292744 488642179 /nfs/dbraw/zinc/64/21/79/488642179.db2.gz FWDSRGUHEQDAKD-CQSZACIVSA-N 1 2 358.416 0.842 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000273292744 488642178 /nfs/dbraw/zinc/64/21/78/488642178.db2.gz FWDSRGUHEQDAKD-CQSZACIVSA-N 1 2 358.416 0.842 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273364159 488646212 /nfs/dbraw/zinc/64/62/12/488646212.db2.gz FTUBYXCZYZWBEB-GFCCVEGCSA-N 1 2 356.354 0.891 20 5 FCBDLO O=C(c1ccccc1O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000133026687 488656528 /nfs/dbraw/zinc/65/65/28/488656528.db2.gz NYADCVCAKYOAEB-UHFFFAOYSA-N 1 2 372.381 0.920 20 5 FCBDLO CC(=O)N1CC[NH+](CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264235232 488657180 /nfs/dbraw/zinc/65/71/80/488657180.db2.gz KNQSTZHLRSSUMA-UHFFFAOYSA-N 1 2 359.386 0.970 20 5 FCBDLO CC[NH+]1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273572839 488659504 /nfs/dbraw/zinc/65/95/04/488659504.db2.gz LMKSVXCJHQISRN-UHFFFAOYSA-N 1 2 370.431 0.716 20 5 FCBDLO COC(C[N@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)OC ZINC000273658595 488665272 /nfs/dbraw/zinc/66/52/72/488665272.db2.gz XNKPSHZBHYQGQM-UHFFFAOYSA-N 1 2 367.402 0.787 20 5 FCBDLO COC(C[N@@H+](CCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)OC ZINC000273658595 488665274 /nfs/dbraw/zinc/66/52/74/488665274.db2.gz XNKPSHZBHYQGQM-UHFFFAOYSA-N 1 2 367.402 0.787 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000264638832 488693239 /nfs/dbraw/zinc/69/32/39/488693239.db2.gz XCTDQHFOLVDXJQ-OCCSQVGLSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000264638832 488693240 /nfs/dbraw/zinc/69/32/40/488693240.db2.gz XCTDQHFOLVDXJQ-OCCSQVGLSA-N 1 2 351.359 0.840 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264665061 488695751 /nfs/dbraw/zinc/69/57/51/488695751.db2.gz WSLGJTXFVPHQSB-NSHDSACASA-N 1 2 370.431 0.935 20 5 FCBDLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000264696053 488699618 /nfs/dbraw/zinc/69/96/18/488699618.db2.gz GKFAOLHEAWABSP-NSHDSACASA-N 1 2 350.375 1.000 20 5 FCBDLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000264696053 488699620 /nfs/dbraw/zinc/69/96/20/488699620.db2.gz GKFAOLHEAWABSP-NSHDSACASA-N 1 2 350.375 1.000 20 5 FCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264770755 488710053 /nfs/dbraw/zinc/71/00/53/488710053.db2.gz RATGCCRAHAAXFH-NSHDSACASA-N 1 2 362.839 0.772 20 5 FCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000264770755 488710056 /nfs/dbraw/zinc/71/00/56/488710056.db2.gz RATGCCRAHAAXFH-NSHDSACASA-N 1 2 362.839 0.772 20 5 FCBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000264777788 488710671 /nfs/dbraw/zinc/71/06/71/488710671.db2.gz TTXLAVVRYJJNFE-AWEZNQCLSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C ZINC000264777788 488710672 /nfs/dbraw/zinc/71/06/72/488710672.db2.gz TTXLAVVRYJJNFE-AWEZNQCLSA-N 1 2 356.448 0.736 20 5 FCBDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000266780038 488729325 /nfs/dbraw/zinc/72/93/25/488729325.db2.gz SOXZZIMKZKQFJV-UHFFFAOYSA-N 1 2 360.374 0.493 20 5 FCBDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000267311679 488776804 /nfs/dbraw/zinc/77/68/04/488776804.db2.gz DGSMKTTVQJMKTK-UHFFFAOYSA-N 1 2 350.375 0.714 20 5 FCBDLO CC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000275443492 488780165 /nfs/dbraw/zinc/78/01/65/488780165.db2.gz HKANZDRFHCULOW-ZDUSSCGKSA-N 1 2 368.365 0.899 20 5 FCBDLO CC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000275443492 488780167 /nfs/dbraw/zinc/78/01/67/488780167.db2.gz HKANZDRFHCULOW-ZDUSSCGKSA-N 1 2 368.365 0.899 20 5 FCBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000267561378 488798242 /nfs/dbraw/zinc/79/82/42/488798242.db2.gz AXECNFINUFKYCC-HNNXBMFYSA-N 1 2 366.418 0.472 20 5 FCBDLO CCCc1n[nH]c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000267626935 488806556 /nfs/dbraw/zinc/80/65/56/488806556.db2.gz FFDYGUKJCLWRHE-NSHDSACASA-N 1 2 355.395 0.036 20 5 FCBDLO CCCc1[nH]nc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000267626935 488806558 /nfs/dbraw/zinc/80/65/58/488806558.db2.gz FFDYGUKJCLWRHE-NSHDSACASA-N 1 2 355.395 0.036 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000164873723 488810909 /nfs/dbraw/zinc/81/09/09/488810909.db2.gz DZSFIPSZYISCHO-DOMZBBRYSA-N 1 2 357.432 0.776 20 5 FCBDLO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000164873723 488810911 /nfs/dbraw/zinc/81/09/11/488810911.db2.gz DZSFIPSZYISCHO-DOMZBBRYSA-N 1 2 357.432 0.776 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000267713142 488814397 /nfs/dbraw/zinc/81/43/97/488814397.db2.gz RGRVGWPTYICDCE-CQSZACIVSA-N 1 2 353.375 0.125 20 5 FCBDLO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289989504 489107109 /nfs/dbraw/zinc/10/71/09/489107109.db2.gz VRBXZZZSKRFRRJ-UHFFFAOYSA-N 1 2 369.802 0.980 20 5 FCBDLO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289989504 489107114 /nfs/dbraw/zinc/10/71/14/489107114.db2.gz VRBXZZZSKRFRRJ-UHFFFAOYSA-N 1 2 369.802 0.980 20 5 FCBDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000365844922 489118779 /nfs/dbraw/zinc/11/87/79/489118779.db2.gz UVKDFRNVZRJNKZ-INIZCTEOSA-N 1 2 369.385 0.921 20 5 FCBDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330702134 489135215 /nfs/dbraw/zinc/13/52/15/489135215.db2.gz OOEHDTLERDMUCD-NSHDSACASA-N 1 2 362.839 0.772 20 5 FCBDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330702134 489135217 /nfs/dbraw/zinc/13/52/17/489135217.db2.gz OOEHDTLERDMUCD-NSHDSACASA-N 1 2 362.839 0.772 20 5 FCBDLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000297931878 489265120 /nfs/dbraw/zinc/26/51/20/489265120.db2.gz RFTQUWLEDLTCMH-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298266925 489309499 /nfs/dbraw/zinc/30/94/99/489309499.db2.gz FCWRYAPRRGKMPK-UHFFFAOYSA-N 1 2 370.431 0.379 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000299157231 489411592 /nfs/dbraw/zinc/41/15/92/489411592.db2.gz PLBARSCVDGKVMR-LLVKDONJSA-N 1 2 361.358 0.735 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451888802 489529183 /nfs/dbraw/zinc/52/91/83/489529183.db2.gz JFAVOWRPPOLACX-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451888802 489529186 /nfs/dbraw/zinc/52/91/86/489529186.db2.gz JFAVOWRPPOLACX-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@H+](C)C1 ZINC000416575158 489612299 /nfs/dbraw/zinc/61/22/99/489612299.db2.gz AJCARURNIQHTPR-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[N@@H+](C)C1 ZINC000416575158 489612301 /nfs/dbraw/zinc/61/23/01/489612301.db2.gz AJCARURNIQHTPR-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc([N+](=O)[O-])c(C(N)=O)n3)c2cc1C ZINC000489354349 489707492 /nfs/dbraw/zinc/70/74/92/489707492.db2.gz LICSYOQRMXWALT-LLVKDONJSA-N 1 2 358.358 0.918 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475701418 489843344 /nfs/dbraw/zinc/84/33/44/489843344.db2.gz LOWJJAXCWCNMIF-QMTHXVAHSA-N 1 2 367.358 0.221 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000475701418 489843345 /nfs/dbraw/zinc/84/33/45/489843345.db2.gz LOWJJAXCWCNMIF-QMTHXVAHSA-N 1 2 367.358 0.221 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000476085594 489867640 /nfs/dbraw/zinc/86/76/40/489867640.db2.gz UZIXTYWMMNTYOG-UHFFFAOYSA-N 1 2 369.385 0.934 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000476385427 489883611 /nfs/dbraw/zinc/88/36/11/489883611.db2.gz JDXLJXRQMDMQLP-CQSZACIVSA-N 1 2 355.420 0.266 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494704493 489906285 /nfs/dbraw/zinc/90/62/85/489906285.db2.gz UZHOXJKFFUJQQZ-CYBMUJFWSA-N 1 2 370.431 0.855 20 5 FCBDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000494704493 489906290 /nfs/dbraw/zinc/90/62/90/489906290.db2.gz UZHOXJKFFUJQQZ-CYBMUJFWSA-N 1 2 370.431 0.855 20 5 FCBDLO CNC(=O)Cc1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000494997690 489922502 /nfs/dbraw/zinc/92/25/02/489922502.db2.gz KVDAGHTZQCHFCV-JTQLQIEISA-N 1 2 361.362 0.348 20 5 FCBDLO CNC(=O)Cc1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000494997690 489922507 /nfs/dbraw/zinc/92/25/07/489922507.db2.gz KVDAGHTZQCHFCV-JTQLQIEISA-N 1 2 361.362 0.348 20 5 FCBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000462909455 489994820 /nfs/dbraw/zinc/99/48/20/489994820.db2.gz NMQNXWIJKXLPHY-UHFFFAOYSA-N 1 2 363.418 0.921 20 5 FCBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000462909455 489994824 /nfs/dbraw/zinc/99/48/24/489994824.db2.gz NMQNXWIJKXLPHY-UHFFFAOYSA-N 1 2 363.418 0.921 20 5 FCBDLO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1[nH+]ccn1C ZINC000420976255 490037311 /nfs/dbraw/zinc/03/73/11/490037311.db2.gz SJUQTQFKQSSOIQ-UHFFFAOYSA-N 1 2 353.404 0.739 20 5 FCBDLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444602718 490097648 /nfs/dbraw/zinc/09/76/48/490097648.db2.gz LWEZNSCMUOHSJH-SNVBAGLBSA-N 1 2 368.419 0.476 20 5 FCBDLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444602718 490097650 /nfs/dbraw/zinc/09/76/50/490097650.db2.gz LWEZNSCMUOHSJH-SNVBAGLBSA-N 1 2 368.419 0.476 20 5 FCBDLO CCn1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000532855699 490129454 /nfs/dbraw/zinc/12/94/54/490129454.db2.gz XFAVMWDCHSEZES-GFCCVEGCSA-N 1 2 373.435 0.154 20 5 FCBDLO Cc1n[nH]c(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000408081836 490242580 /nfs/dbraw/zinc/24/25/80/490242580.db2.gz WVAQNULSEFMGOJ-UHFFFAOYSA-N 1 2 364.406 0.253 20 5 FCBDLO Cc1[nH]nc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000408081836 490242587 /nfs/dbraw/zinc/24/25/87/490242587.db2.gz WVAQNULSEFMGOJ-UHFFFAOYSA-N 1 2 364.406 0.253 20 5 FCBDLO O=C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NCC(F)F ZINC000482922822 490263422 /nfs/dbraw/zinc/26/34/22/490263422.db2.gz VFGSVXBRVQRYQA-UHFFFAOYSA-N 1 2 353.285 0.892 20 5 FCBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483373397 490312122 /nfs/dbraw/zinc/31/21/22/490312122.db2.gz FOHCYBYSUQILFX-ZDUSSCGKSA-N 1 2 366.374 0.259 20 5 FCBDLO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000500387937 490509341 /nfs/dbraw/zinc/50/93/41/490509341.db2.gz HTGYIENDEMSYOD-UHFFFAOYSA-N 1 2 366.403 0.288 20 5 FCBDLO Cc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1[N+](=O)[O-] ZINC000510397627 490514163 /nfs/dbraw/zinc/51/41/63/490514163.db2.gz SXWUTYQWZYEYDO-UHFFFAOYSA-N 1 2 374.397 0.696 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510671431 490533169 /nfs/dbraw/zinc/53/31/69/490533169.db2.gz RVYYFELCJOXODE-NWDGAFQWSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510671431 490533172 /nfs/dbraw/zinc/53/31/72/490533172.db2.gz RVYYFELCJOXODE-NWDGAFQWSA-N 1 2 370.431 0.922 20 5 FCBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000501723942 490637406 /nfs/dbraw/zinc/63/74/06/490637406.db2.gz MEGNIIDPAVJFJM-ZDUSSCGKSA-N 1 2 373.417 0.664 20 5 FCBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486503135 490640893 /nfs/dbraw/zinc/64/08/93/490640893.db2.gz ZNIUYWCANNCAKO-UHFFFAOYSA-N 1 2 370.413 0.866 20 5 FCBDLO Cc1nn(C)c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000512298550 490673089 /nfs/dbraw/zinc/67/30/89/490673089.db2.gz HIJHOPZICZPOAR-UHFFFAOYSA-N 1 2 360.374 0.798 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000503286761 490749674 /nfs/dbraw/zinc/74/96/74/490749674.db2.gz UJAYTCNOVKJHTC-UHFFFAOYSA-N 1 2 358.358 0.601 20 5 FCBDLO O=C1C[C@@]2(CN1)CCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000541282518 490857287 /nfs/dbraw/zinc/85/72/87/490857287.db2.gz NFICUGCKPWGPPS-MRXNPFEDSA-N 1 2 367.427 0.971 20 5 FCBDLO O=C1C[C@@]2(CN1)CCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000541282518 490857289 /nfs/dbraw/zinc/85/72/89/490857289.db2.gz NFICUGCKPWGPPS-MRXNPFEDSA-N 1 2 367.427 0.971 20 5 FCBDLO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCOC1 ZINC000541627499 490867806 /nfs/dbraw/zinc/86/78/06/490867806.db2.gz ZULFUYWELWIKJP-SWLSCSKDSA-N 1 2 353.375 0.704 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000565200211 491359519 /nfs/dbraw/zinc/35/95/19/491359519.db2.gz PRJUNRBWWAGJFX-UHFFFAOYSA-N 1 2 369.385 1.432 20 5 FCBDLO CNc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000530719896 490920689 /nfs/dbraw/zinc/92/06/89/490920689.db2.gz XYAAGGKCXLUDDS-CYBMUJFWSA-N 1 2 352.391 0.402 20 5 FCBDLO CC(C)OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000531066224 490939334 /nfs/dbraw/zinc/93/93/34/490939334.db2.gz RLYNJDKBSJBFEM-UHFFFAOYSA-N 1 2 372.447 0.789 20 5 FCBDLO CCc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000572636183 491383614 /nfs/dbraw/zinc/38/36/14/491383614.db2.gz XAOFVNGUDYKSBX-UHFFFAOYSA-N 1 2 357.432 0.846 20 5 FCBDLO CCc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000572636183 491383616 /nfs/dbraw/zinc/38/36/16/491383616.db2.gz XAOFVNGUDYKSBX-UHFFFAOYSA-N 1 2 357.432 0.846 20 5 FCBDLO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000565652457 491391667 /nfs/dbraw/zinc/39/16/67/491391667.db2.gz PCVXTOPTYVEUJK-LLVKDONJSA-N 1 2 356.329 0.572 20 5 FCBDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccnc(N)c2[N+](=O)[O-])cn1 ZINC000572779859 491393485 /nfs/dbraw/zinc/39/34/85/491393485.db2.gz XGMLLKSFBXHRNC-UHFFFAOYSA-N 1 2 370.373 0.845 20 5 FCBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000561356705 491600584 /nfs/dbraw/zinc/60/05/84/491600584.db2.gz YXHNOXQHHVDKHV-NEPJUHHUSA-N 1 2 370.431 0.542 20 5 FCBDLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000576981535 491662064 /nfs/dbraw/zinc/66/20/64/491662064.db2.gz NIPCZUSMGMZFSW-UHFFFAOYSA-N 1 2 366.403 0.555 20 5 FCBDLO Cc1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000578515446 491678864 /nfs/dbraw/zinc/67/88/64/491678864.db2.gz UYVYXPATXQMXFG-UHFFFAOYSA-N 1 2 367.387 0.939 20 5 FCBDLO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000578906185 491686847 /nfs/dbraw/zinc/68/68/47/491686847.db2.gz KGJCEBOMGHDZKH-SNVBAGLBSA-N 1 2 367.387 0.816 20 5 FCBDLO O=c1c2cc([N+](=O)[O-])cc(Cl)c2ncn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000579109717 491691223 /nfs/dbraw/zinc/69/12/23/491691223.db2.gz WXOOQGPKASCASM-NSHDSACASA-N 1 2 368.777 0.651 20 5 FCBDLO CN(C)S(=O)(=O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000579419652 491697566 /nfs/dbraw/zinc/69/75/66/491697566.db2.gz OPCHDNRPVHBTNO-UHFFFAOYSA-N 1 2 372.447 0.730 20 5 FCBDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586061302 491731028 /nfs/dbraw/zinc/73/10/28/491731028.db2.gz OTGKFQZCMTUZQW-UHFFFAOYSA-N 1 2 358.358 0.958 20 5 FCBDLO NC(=O)N1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000588855897 491750381 /nfs/dbraw/zinc/75/03/81/491750381.db2.gz QHQUWHKYOJFGPQ-LLVKDONJSA-N 1 2 358.358 0.911 20 5 FCBDLO CNc1nc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000583214369 491840352 /nfs/dbraw/zinc/84/03/52/491840352.db2.gz VKVUWFSAQAEMCD-YMTOWFKASA-N 1 2 373.373 0.515 20 5 FCBDLO O=C(CN1CC[NH2+]CC1=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583932617 491854978 /nfs/dbraw/zinc/85/49/78/491854978.db2.gz ZNGNIBIYNISBBK-UHFFFAOYSA-N 1 2 362.386 0.396 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595156290 491891431 /nfs/dbraw/zinc/89/14/31/491891431.db2.gz VLOZKTAYXSNEEL-CQSZACIVSA-N 1 2 362.386 0.775 20 5 FCBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000595370890 491925166 /nfs/dbraw/zinc/92/51/66/491925166.db2.gz KYWOTDXNMOLYQR-DZGCQCFKSA-N 1 2 373.406 0.321 20 5 FCBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 ZINC000612566728 491934508 /nfs/dbraw/zinc/93/45/08/491934508.db2.gz BFVAGSNRKYTPKS-AWEZNQCLSA-N 1 2 357.370 0.937 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000595731210 491951244 /nfs/dbraw/zinc/95/12/44/491951244.db2.gz BOJLEJGPIPTWKX-NSHDSACASA-N 1 2 353.375 0.750 20 5 FCBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H]1COCCO1 ZINC000595735773 491951231 /nfs/dbraw/zinc/95/12/31/491951231.db2.gz CNKNFEPEYJSTOI-JTQLQIEISA-N 1 2 353.331 0.609 20 5 FCBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H]1COCCO1 ZINC000595735773 491951233 /nfs/dbraw/zinc/95/12/33/491951233.db2.gz CNKNFEPEYJSTOI-JTQLQIEISA-N 1 2 353.331 0.609 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596108995 491975793 /nfs/dbraw/zinc/97/57/93/491975793.db2.gz ZGUUGKGGRKJIIN-GFCCVEGCSA-N 1 2 366.422 0.235 20 5 FCBDLO NS(=O)(=O)c1cccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596246817 491981337 /nfs/dbraw/zinc/98/13/37/491981337.db2.gz HQQWKYLOXXMWQZ-GFCCVEGCSA-N 1 2 370.431 0.543 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596428025 491985003 /nfs/dbraw/zinc/98/50/03/491985003.db2.gz GNCZKQUHSZSVCR-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000596428025 491985005 /nfs/dbraw/zinc/98/50/05/491985005.db2.gz GNCZKQUHSZSVCR-MNOVXSKESA-N 1 2 358.420 0.763 20 5 FCBDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602766514 491997220 /nfs/dbraw/zinc/99/72/20/491997220.db2.gz MGXOXZVJDDAJCL-ZDUSSCGKSA-N 1 2 352.439 0.632 20 5 FCBDLO CC(C)(CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000603928984 492047552 /nfs/dbraw/zinc/04/75/52/492047552.db2.gz KWGVWGZFDSJAFW-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO COc1ccc(C(=O)NCC(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598460656 492099890 /nfs/dbraw/zinc/09/98/90/492099890.db2.gz VWFVHAHFQZFRFG-SNVBAGLBSA-N 1 2 361.358 0.944 20 5 FCBDLO C[C@@H]1COCC[N@@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598594955 492106525 /nfs/dbraw/zinc/10/65/25/492106525.db2.gz OZUPIRYUTCGJQU-GFCCVEGCSA-N 1 2 352.395 0.354 20 5 FCBDLO C[C@@H]1COCC[N@H+]1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598594955 492106528 /nfs/dbraw/zinc/10/65/28/492106528.db2.gz OZUPIRYUTCGJQU-GFCCVEGCSA-N 1 2 352.395 0.354 20 5 FCBDLO COC(=O)COc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000616089338 492116386 /nfs/dbraw/zinc/11/63/86/492116386.db2.gz VZAXVFFLXQBIOO-UHFFFAOYSA-N 1 2 362.346 0.758 20 5 FCBDLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598897243 492120991 /nfs/dbraw/zinc/12/09/91/492120991.db2.gz YKLNNLKDLPYKOE-GFCCVEGCSA-N 1 2 365.390 0.553 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598897243 492120994 /nfs/dbraw/zinc/12/09/94/492120994.db2.gz YKLNNLKDLPYKOE-GFCCVEGCSA-N 1 2 365.390 0.553 20 5 FCBDLO C[C@H]1C[N@H+](CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598897245 492121094 /nfs/dbraw/zinc/12/10/94/492121094.db2.gz YKLNNLKDLPYKOE-LBPRGKRZSA-N 1 2 365.390 0.553 20 5 FCBDLO C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598897245 492121097 /nfs/dbraw/zinc/12/10/97/492121097.db2.gz YKLNNLKDLPYKOE-LBPRGKRZSA-N 1 2 365.390 0.553 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599438633 492172676 /nfs/dbraw/zinc/17/26/76/492172676.db2.gz FZBXOKATVXFETD-OAHLLOKOSA-N 1 2 361.402 0.875 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[NH+](CC(=O)N(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000608810708 492193326 /nfs/dbraw/zinc/19/33/26/492193326.db2.gz IRXKBZQWSKZRFX-UHFFFAOYSA-N 1 2 366.422 0.031 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609227403 492200654 /nfs/dbraw/zinc/20/06/54/492200654.db2.gz RVVACFSTIGCRQI-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609227403 492200656 /nfs/dbraw/zinc/20/06/56/492200656.db2.gz RVVACFSTIGCRQI-LBPRGKRZSA-N 1 2 350.375 0.679 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000609227229 492200712 /nfs/dbraw/zinc/20/07/12/492200712.db2.gz LTFNQWAJBPWCIU-LLVKDONJSA-N 1 2 366.374 0.379 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000609227229 492200714 /nfs/dbraw/zinc/20/07/14/492200714.db2.gz LTFNQWAJBPWCIU-LLVKDONJSA-N 1 2 366.374 0.379 20 5 FCBDLO Cn1cc(C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609530979 492211905 /nfs/dbraw/zinc/21/19/05/492211905.db2.gz HWDOJTQMPBQQJK-OAHLLOKOSA-N 1 2 372.429 0.971 20 5 FCBDLO Cn1cc(C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609530979 492211907 /nfs/dbraw/zinc/21/19/07/492211907.db2.gz HWDOJTQMPBQQJK-OAHLLOKOSA-N 1 2 372.429 0.971 20 5 FCBDLO O=C(NCC(=O)N1CC(n2cc[nH+]c2)C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000609624856 492216659 /nfs/dbraw/zinc/21/66/59/492216659.db2.gz JQDZFUDSBDFDPQ-UHFFFAOYSA-N 1 2 358.358 0.674 20 5 FCBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCOCC1 ZINC000609840259 492224105 /nfs/dbraw/zinc/22/41/05/492224105.db2.gz HFQXBMVWOKJSSE-LBPRGKRZSA-N 1 2 354.411 0.276 20 5 FCBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCn2cncn2)CC1 ZINC000610113789 492235092 /nfs/dbraw/zinc/23/50/92/492235092.db2.gz ZLGYUNPXRJXVPL-UHFFFAOYSA-N 1 2 359.390 0.443 20 5 FCBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000610368479 492243373 /nfs/dbraw/zinc/24/33/73/492243373.db2.gz BMIDIZKEIMOTBA-LBPRGKRZSA-N 1 2 373.431 0.996 20 5 FCBDLO COc1ccc(OCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000610368479 492243375 /nfs/dbraw/zinc/24/33/75/492243375.db2.gz BMIDIZKEIMOTBA-LBPRGKRZSA-N 1 2 373.431 0.996 20 5 FCBDLO CS(=O)(=O)NC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000600326491 492261089 /nfs/dbraw/zinc/26/10/89/492261089.db2.gz QJMBTERYSDTVGX-UHFFFAOYSA-N 1 2 365.371 0.154 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000619483176 492265093 /nfs/dbraw/zinc/26/50/93/492265093.db2.gz XRSMSZFLNFEVFI-NSHDSACASA-N 1 2 358.420 0.128 20 5 FCBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000619483176 492265096 /nfs/dbraw/zinc/26/50/96/492265096.db2.gz XRSMSZFLNFEVFI-NSHDSACASA-N 1 2 358.420 0.128 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610898818 492267514 /nfs/dbraw/zinc/26/75/14/492267514.db2.gz FGVVLIFZDLMJTQ-YGRLFVJLSA-N 1 2 359.404 0.601 20 5 FCBDLO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610898818 492267515 /nfs/dbraw/zinc/26/75/15/492267515.db2.gz FGVVLIFZDLMJTQ-YGRLFVJLSA-N 1 2 359.404 0.601 20 5 FCBDLO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611104312 492278208 /nfs/dbraw/zinc/27/82/08/492278208.db2.gz PRPGHQJVBDSWPU-LLVKDONJSA-N 1 2 356.404 0.153 20 5 FCBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000442831451 534755494 /nfs/dbraw/zinc/75/54/94/534755494.db2.gz WHSTXQRPRMDQHM-HNNXBMFYSA-N 1 2 353.379 0.854 20 5 FCBDLO CC(C)[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000439047237 534994379 /nfs/dbraw/zinc/99/43/79/534994379.db2.gz OUODOOPCLVWPKD-ZDUSSCGKSA-N 1 2 352.391 0.230 20 5 FCBDLO CS(=O)(=O)NCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000551046146 546533681 /nfs/dbraw/zinc/53/36/81/546533681.db2.gz DJWJTHPVDQYOCZ-UHFFFAOYSA-N 1 2 371.415 0.975 20 5 FCBDLO CS(=O)(=O)NCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000551046146 546533686 /nfs/dbraw/zinc/53/36/86/546533686.db2.gz DJWJTHPVDQYOCZ-UHFFFAOYSA-N 1 2 371.415 0.975 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592196433 546946135 /nfs/dbraw/zinc/94/61/35/546946135.db2.gz KHLRIYPAAFPJNW-WCQYABFASA-N 1 2 351.359 0.698 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592196433 546946137 /nfs/dbraw/zinc/94/61/37/546946137.db2.gz KHLRIYPAAFPJNW-WCQYABFASA-N 1 2 351.359 0.698 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593508492 546969317 /nfs/dbraw/zinc/96/93/17/546969317.db2.gz HAJYQWAUPHPHOF-CQSZACIVSA-N 1 2 355.366 0.428 20 5 FCBDLO O=[N+]([O-])c1cc(O)ccc1-n1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000594652054 547002265 /nfs/dbraw/zinc/00/22/65/547002265.db2.gz KKLZXCBDLVDSDK-VIFPVBQESA-N 1 2 353.360 0.158 20 5 FCBDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000731649410 666828706 /nfs/dbraw/zinc/82/87/06/666828706.db2.gz OZTXPTWUIHIYAM-UHFFFAOYSA-N 1 2 373.406 0.973 20 5 FCBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000920011991 667216223 /nfs/dbraw/zinc/21/62/23/667216223.db2.gz YTRSOKHAXJIPFY-ZWNOBZJWSA-N 1 2 360.411 0.647 20 5 FCBDLO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000920011991 667216224 /nfs/dbraw/zinc/21/62/24/667216224.db2.gz YTRSOKHAXJIPFY-ZWNOBZJWSA-N 1 2 360.411 0.647 20 5 FCBDLO CCS(=O)(=O)NCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102600 667920185 /nfs/dbraw/zinc/92/01/85/667920185.db2.gz UFXQKNVIFVABPL-UHFFFAOYSA-N 1 2 368.371 0.877 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000788603294 668834387 /nfs/dbraw/zinc/83/43/87/668834387.db2.gz FEKVEUYUMFQVAL-ZWNOBZJWSA-N 1 2 355.322 0.671 20 5 FCBDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000788603294 668834389 /nfs/dbraw/zinc/83/43/89/668834389.db2.gz FEKVEUYUMFQVAL-ZWNOBZJWSA-N 1 2 355.322 0.671 20 5 FCBDLO Cc1nn(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-] ZINC000795652825 669052483 /nfs/dbraw/zinc/05/24/83/669052483.db2.gz ZYGOZGNMOIJEBE-ZDUSSCGKSA-N 1 2 359.452 0.969 20 5 FCBDLO Cc1nn(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-] ZINC000795652825 669052488 /nfs/dbraw/zinc/05/24/88/669052488.db2.gz ZYGOZGNMOIJEBE-ZDUSSCGKSA-N 1 2 359.452 0.969 20 5 FCBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000831734716 669864379 /nfs/dbraw/zinc/86/43/79/669864379.db2.gz YMSBGHADJQBICQ-UJNFCWOMSA-N 1 2 366.761 0.780 20 5 FCBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000831734716 669864384 /nfs/dbraw/zinc/86/43/84/669864384.db2.gz YMSBGHADJQBICQ-UJNFCWOMSA-N 1 2 366.761 0.780 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000841555473 670592644 /nfs/dbraw/zinc/59/26/44/670592644.db2.gz GLGYLGYFDDVXCV-SECBINFHSA-N 1 2 363.417 0.382 20 5 FCBDLO 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FCBDLO NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000757843430 1220177436 /nfs/dbraw/zinc/17/74/36/1220177436.db2.gz RJUFDHLAGZAXGU-UHFFFAOYSA-N 1 2 363.374 0.549 20 5 FCBDLO NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000757843430 1220177441 /nfs/dbraw/zinc/17/74/41/1220177441.db2.gz RJUFDHLAGZAXGU-UHFFFAOYSA-N 1 2 363.374 0.549 20 5 FCBDLO CC(=O)N1C[C@@H]2C[N@@H+](CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001119391345 1221910958 /nfs/dbraw/zinc/91/09/58/1221910958.db2.gz CBPXSALFMVPKBO-IYOUNJFTSA-N 1 2 374.397 0.900 20 5 FCBDLO CC(=O)N1C[C@@H]2C[N@H+](CN3C(=O)C[C@@H]3Oc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001119391345 1221910963 /nfs/dbraw/zinc/91/09/63/1221910963.db2.gz CBPXSALFMVPKBO-IYOUNJFTSA-N 1 2 374.397 0.900 20 5 FCBDLO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001120959481 1222133779 /nfs/dbraw/zinc/13/37/79/1222133779.db2.gz JPQLKUYSIIHWAA-BZNIZROVSA-N 1 2 362.434 0.831 20 5 FCBDLO 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C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001323937515 1264543695 /nfs/dbraw/zinc/54/36/95/1264543695.db2.gz BQWNJDTZRVPBCD-HNNXBMFYSA-N 1 2 372.385 0.210 20 5 FCBDLO CN(C)C(=O)C[N@@H+]1CCCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001578958420 1276503216 /nfs/dbraw/zinc/50/32/16/1276503216.db2.gz CRJCWMXSQJUWRL-UHFFFAOYSA-N 1 2 374.405 0.375 20 5 FCBDLO CN(C)C(=O)C[N@H+]1CCCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001578958420 1276503221 /nfs/dbraw/zinc/50/32/21/1276503221.db2.gz CRJCWMXSQJUWRL-UHFFFAOYSA-N 1 2 374.405 0.375 20 5 FCBDLO Cn1cc[nH+]c1N1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001592585390 1285509100 /nfs/dbraw/zinc/50/91/00/1285509100.db2.gz HPXAQVDXCQPLHU-UHFFFAOYSA-N 1 2 355.362 0.835 20 5 FCBDLO O=C(Cc1c[nH]c[nH+]1)NCCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592928727 1285819125 /nfs/dbraw/zinc/81/91/25/1285819125.db2.gz YSGMMUOIYJSWSE-UHFFFAOYSA-N 1 2 371.361 0.659 20 5 FCBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCN(c2cccnn2)CC1 ZINC001593483256 1286174880 /nfs/dbraw/zinc/17/48/80/1286174880.db2.gz XWUSQGXJAQAPCG-UHFFFAOYSA-N 1 2 367.373 0.887 20 5 FCBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(-c2nn[nH]n2)c1 ZINC001593486423 1286176632 /nfs/dbraw/zinc/17/66/32/1286176632.db2.gz RZZCEPIEEDUZFT-UHFFFAOYSA-N 1 2 356.350 0.215 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001606993271 1288583459 /nfs/dbraw/zinc/58/34/59/1288583459.db2.gz PCADEYDCBCIJBJ-ZIAGYGMSSA-N 1 2 357.374 0.176 20 5 FCBDLO O=c1[nH]nc(C2CC[NH+](Cc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC001609604999 1289259481 /nfs/dbraw/zinc/25/94/81/1289259481.db2.gz BGHYGRLVHZOIQK-UHFFFAOYSA-N 1 2 371.361 0.978 20 5 FCBDLO CS(=O)(=O)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001699257407 1289548529 /nfs/dbraw/zinc/54/85/29/1289548529.db2.gz OZGFHOWRIXAPPA-JDEDCZITSA-N 1 2 357.388 0.110 20 5 FCBDLO Cc1ccc(CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001753049047 1290617655 /nfs/dbraw/zinc/61/76/55/1290617655.db2.gz PORDYLUBARYLML-CHWSQXEVSA-N 1 2 354.432 0.386 20 5 FCBDLO Cc1ccc(CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001753049047 1290617661 /nfs/dbraw/zinc/61/76/61/1290617661.db2.gz PORDYLUBARYLML-CHWSQXEVSA-N 1 2 354.432 0.386 20 5 FCBDLO O=C(C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)NC1CCCCC1 ZINC001753153313 1290619882 /nfs/dbraw/zinc/61/98/82/1290619882.db2.gz POKUFNVJFAGHMN-HUUCEWRRSA-N 1 2 352.435 0.681 20 5 FCBDLO O=C(C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1)NC1CCCCC1 ZINC001753153313 1290619889 /nfs/dbraw/zinc/61/98/89/1290619889.db2.gz POKUFNVJFAGHMN-HUUCEWRRSA-N 1 2 352.435 0.681 20 5 FCBDLO CN(CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067385773 837456370 /nfs/dbraw/zinc/45/63/70/837456370.db2.gz MAXVXIJKGHCWJA-VXGBXAGGSA-N 1 2 351.407 0.659 20 5 FCBDLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000746468804 836185039 /nfs/dbraw/zinc/18/50/39/836185039.db2.gz IKLHJSRXATWIFT-VWLOTQADSA-N 1 2 368.459 0.920 20 5 FCBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746474771 836186572 /nfs/dbraw/zinc/18/65/72/836186572.db2.gz OYSRLWCMNLHAGN-ZJWNCGCPSA-N 1 2 368.459 0.918 20 5 FCBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086084515 842119235 /nfs/dbraw/zinc/11/92/35/842119235.db2.gz UNMNQRQMPWWTEI-WRWGMCAJSA-N 1 2 351.411 0.078 20 5 FCBDLO O=C(NCCC[NH2+]Cc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767043 849991509 /nfs/dbraw/zinc/99/15/09/849991509.db2.gz FERAVCUQLMQZCI-RNFRBKRXSA-N 1 2 353.326 0.818 20 5 FCBDLO CCOC(=O)c1ccnc(N2CC[N@H+](C)C[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001157771860 849992840 /nfs/dbraw/zinc/99/28/40/849992840.db2.gz HAGKLMSHMLRZFR-LLVKDONJSA-N 1 2 352.347 0.460 20 5 FCBDLO CCOC(=O)c1ccnc(N2CC[N@@H+](C)C[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC001157771860 849992847 /nfs/dbraw/zinc/99/28/47/849992847.db2.gz HAGKLMSHMLRZFR-LLVKDONJSA-N 1 2 352.347 0.460 20 5 FCBDLO COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001160693414 850192438 /nfs/dbraw/zinc/19/24/38/850192438.db2.gz UIIDYGAWZOWXDH-JTQLQIEISA-N 1 2 350.335 0.632 20 5 FCBDLO COC(=O)[C@H](C)[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691734 850733208 /nfs/dbraw/zinc/73/32/08/850733208.db2.gz OTANCMGDSYHBTO-NSHDSACASA-N 1 2 371.415 0.899 20 5 FCBDLO CCOC(=O)/C=C/C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001307849786 866679374 /nfs/dbraw/zinc/67/93/74/866679374.db2.gz DPVGTFVPXCPEIK-SNAWJCMRSA-N 1 2 371.415 0.924 20 5 FCBDLO CCOC(=O)/C=C/C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001307849786 866679385 /nfs/dbraw/zinc/67/93/85/866679385.db2.gz DPVGTFVPXCPEIK-SNAWJCMRSA-N 1 2 371.415 0.924 20 5 FCBDLO CN(C)c1cc(F)c(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000295485681 214300205 /nfs/dbraw/zinc/30/02/05/214300205.db2.gz PYIRLLBQQIQTTD-UHFFFAOYSA-N 1 2 367.381 0.352 20 5 FCBDLO CN(C)c1cc(F)c(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000295485681 214300207 /nfs/dbraw/zinc/30/02/07/214300207.db2.gz PYIRLLBQQIQTTD-UHFFFAOYSA-N 1 2 367.381 0.352 20 5 FCBDLO Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295946691 214325044 /nfs/dbraw/zinc/32/50/44/214325044.db2.gz HDAWYWZTIYGUGR-NSHDSACASA-N 1 2 368.365 0.818 20 5 FCBDLO C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000297874893 214465673 /nfs/dbraw/zinc/46/56/73/214465673.db2.gz NYTDQHLIQJZMQF-UHFFFAOYSA-N 1 2 361.402 0.017 20 5 FCBDLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000173467357 529802826 /nfs/dbraw/zinc/80/28/26/529802826.db2.gz ODNKZHOPEXPCIH-JTQLQIEISA-N 1 2 359.394 0.509 20 5 FCBDLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000173467357 529802827 /nfs/dbraw/zinc/80/28/27/529802827.db2.gz ODNKZHOPEXPCIH-JTQLQIEISA-N 1 2 359.394 0.509 20 5 FCBDLO CNC(=O)NC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000412057738 529882081 /nfs/dbraw/zinc/88/20/81/529882081.db2.gz YTTXZJPLUWGLGF-UHFFFAOYSA-N 1 2 361.402 0.877 20 5 FCBDLO CNS(=O)(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413291765 530021208 /nfs/dbraw/zinc/02/12/08/530021208.db2.gz CPRXEQYQZNTODS-UHFFFAOYSA-N 1 2 351.388 0.729 20 5 FCBDLO C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264905357 210012658 /nfs/dbraw/zinc/01/26/58/210012658.db2.gz POFDAZIBEFHLFT-JTQLQIEISA-N 1 2 352.372 0.943 20 5 FCBDLO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCN(C)CC1 ZINC000332420604 215149597 /nfs/dbraw/zinc/14/95/97/215149597.db2.gz WHKWFFSQVLWJCK-CYBMUJFWSA-N 1 2 350.423 0.591 20 5 FCBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000332495412 215162372 /nfs/dbraw/zinc/16/23/72/215162372.db2.gz GUJMTQWCCLLQMP-CQSZACIVSA-N 1 2 364.450 0.847 20 5 FCBDLO NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285692579 213379223 /nfs/dbraw/zinc/37/92/23/213379223.db2.gz RUVKUPRFCZTBRO-UHFFFAOYSA-N 1 2 373.373 0.345 20 5 FCBDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000360554216 215364023 /nfs/dbraw/zinc/36/40/23/215364023.db2.gz FAALSYLSSPYEGL-AWEZNQCLSA-N 1 2 362.386 0.258 20 5 FCBDLO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000361346372 215390556 /nfs/dbraw/zinc/39/05/56/215390556.db2.gz MCKJPVWFKQTBSU-HUUCEWRRSA-N 1 2 355.416 0.815 20 5 FCBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000368335374 216235582 /nfs/dbraw/zinc/23/55/82/216235582.db2.gz YVLAQNSSHFSLJK-HUUCEWRRSA-N 1 2 351.403 0.741 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000368613931 216270245 /nfs/dbraw/zinc/27/02/45/216270245.db2.gz OFABSSJLXUEAFB-IPYPFGDCSA-N 1 2 368.386 0.987 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000368613931 216270246 /nfs/dbraw/zinc/27/02/46/216270246.db2.gz OFABSSJLXUEAFB-IPYPFGDCSA-N 1 2 368.386 0.987 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189088134 209244593 /nfs/dbraw/zinc/24/45/93/209244593.db2.gz OPBPVAXWPQLPPU-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189088134 209244598 /nfs/dbraw/zinc/24/45/98/209244598.db2.gz OPBPVAXWPQLPPU-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189091894 209245135 /nfs/dbraw/zinc/24/51/35/209245135.db2.gz DFCKUSIDMKGGMO-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189091894 209245137 /nfs/dbraw/zinc/24/51/37/209245137.db2.gz DFCKUSIDMKGGMO-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000188286396 209229064 /nfs/dbraw/zinc/22/90/64/209229064.db2.gz MZAHXXIHAPTIOB-CYBMUJFWSA-N 1 2 357.432 0.899 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000276687858 212277055 /nfs/dbraw/zinc/27/70/55/212277055.db2.gz XCTDQHFOLVDXJQ-GXTWGEPZSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000276687858 212277059 /nfs/dbraw/zinc/27/70/59/212277059.db2.gz XCTDQHFOLVDXJQ-GXTWGEPZSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276456257 212236725 /nfs/dbraw/zinc/23/67/25/212236725.db2.gz BIBLSAIOINOHDG-LLVKDONJSA-N 1 2 350.375 0.886 20 5 FCBDLO CCCc1n[nH]c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000186643503 209193540 /nfs/dbraw/zinc/19/35/40/209193540.db2.gz XSUJNFUZRGQWLD-LLVKDONJSA-N 1 2 364.406 0.307 20 5 FCBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000186643503 209193545 /nfs/dbraw/zinc/19/35/45/209193545.db2.gz XSUJNFUZRGQWLD-LLVKDONJSA-N 1 2 364.406 0.307 20 5 FCBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000276363689 212219976 /nfs/dbraw/zinc/21/99/76/212219976.db2.gz WDDDAOSCXDXLFC-CYBMUJFWSA-N 1 2 370.431 0.750 20 5 FCBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000276363689 212219980 /nfs/dbraw/zinc/21/99/80/212219980.db2.gz WDDDAOSCXDXLFC-CYBMUJFWSA-N 1 2 370.431 0.750 20 5 FCBDLO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000276267283 212201920 /nfs/dbraw/zinc/20/19/20/212201920.db2.gz VEACPUHFIYYPLR-UHFFFAOYSA-N 1 2 368.371 0.947 20 5 FCBDLO NS(=O)(=O)c1cccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000376294830 217380035 /nfs/dbraw/zinc/38/00/35/217380035.db2.gz DCLAEOUCUYQIIU-LLVKDONJSA-N 1 2 356.404 0.153 20 5 FCBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F 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CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000267677766 488811559 /nfs/dbraw/zinc/81/15/59/488811559.db2.gz MFUANTLHTBKEDZ-LLVKDONJSA-N 1 2 356.354 0.081 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000173538871 488843393 /nfs/dbraw/zinc/84/33/93/488843393.db2.gz OPEATOSGGOQAOI-CYBMUJFWSA-N 1 2 355.416 0.938 20 5 FCBDLO CNc1nc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)ccc1[N+](=O)[O-] ZINC000570285946 491230428 /nfs/dbraw/zinc/23/04/28/491230428.db2.gz JOSAACIVUGMUAL-LLVKDONJSA-N 1 2 374.401 0.816 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365883346 489122746 /nfs/dbraw/zinc/12/27/46/489122746.db2.gz NOELETATOPYGIH-ZDUSSCGKSA-N 1 2 366.422 0.859 20 5 FCBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282106158 489135070 /nfs/dbraw/zinc/13/50/70/489135070.db2.gz PPCDBTUZCFPPLF-DZGCQCFKSA-N 1 2 351.359 0.922 20 5 FCBDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282106158 489135074 /nfs/dbraw/zinc/13/50/74/489135074.db2.gz PPCDBTUZCFPPLF-DZGCQCFKSA-N 1 2 351.359 0.922 20 5 FCBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295403329 489193360 /nfs/dbraw/zinc/19/33/60/489193360.db2.gz SSPKWLDBMMALFQ-UHFFFAOYSA-N 1 2 357.432 0.892 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000286182821 489366343 /nfs/dbraw/zinc/36/63/43/489366343.db2.gz AOZGKGUMJNQMAR-BXUZGUMPSA-N 1 2 370.431 0.542 20 5 FCBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286387747 489386148 /nfs/dbraw/zinc/38/61/48/489386148.db2.gz OSWISZIUBHOWHZ-RYUDHWBXSA-N 1 2 370.431 0.542 20 5 FCBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC(=O)NC1=O ZINC000299498684 489447911 /nfs/dbraw/zinc/44/79/11/489447911.db2.gz FPFIXWYBCBZCEW-CYBMUJFWSA-N 1 2 357.326 0.658 20 5 FCBDLO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000363335801 489453801 /nfs/dbraw/zinc/45/38/01/489453801.db2.gz VZNQUNJQYZNDLN-HUUCEWRRSA-N 1 2 352.435 0.444 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487571 489470603 /nfs/dbraw/zinc/47/06/03/489470603.db2.gz HKHYAHFJJGSRCB-NWDGAFQWSA-N 1 2 370.431 0.854 20 5 FCBDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000363487571 489470604 /nfs/dbraw/zinc/47/06/04/489470604.db2.gz HKHYAHFJJGSRCB-NWDGAFQWSA-N 1 2 370.431 0.854 20 5 FCBDLO CCc1n[nH]c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000363592611 489482132 /nfs/dbraw/zinc/48/21/32/489482132.db2.gz PKERELCEDPOWQU-HNNXBMFYSA-N 1 2 369.447 0.818 20 5 FCBDLO CN(C)S(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451881532 489528047 /nfs/dbraw/zinc/52/80/47/489528047.db2.gz YXKWKZUMZCAQDX-UHFFFAOYSA-N 1 2 367.387 0.402 20 5 FCBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000451886305 489528292 /nfs/dbraw/zinc/52/82/92/489528292.db2.gz CYICXLCVADLXBG-TXEJJXNPSA-N 1 2 373.431 0.679 20 5 FCBDLO COc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000451886305 489528294 /nfs/dbraw/zinc/52/82/94/489528294.db2.gz CYICXLCVADLXBG-TXEJJXNPSA-N 1 2 373.431 0.679 20 5 FCBDLO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c1C ZINC000451987195 489535933 /nfs/dbraw/zinc/53/59/33/489535933.db2.gz GBTHPXBTCVYNKA-UHFFFAOYSA-N 1 2 357.432 0.947 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000456217628 489611565 /nfs/dbraw/zinc/61/15/65/489611565.db2.gz QDIOUSUDAODMEI-OKILXGFUSA-N 1 2 365.386 0.962 20 5 FCBDLO COc1cc(OCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000456217628 489611567 /nfs/dbraw/zinc/61/15/67/489611567.db2.gz QDIOUSUDAODMEI-OKILXGFUSA-N 1 2 365.386 0.962 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC[N@H+](C)C1 ZINC000416592658 489615256 /nfs/dbraw/zinc/61/52/56/489615256.db2.gz VBMRDOLBGNQAOV-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC[N@@H+](C)C1 ZINC000416592658 489615259 /nfs/dbraw/zinc/61/52/59/489615259.db2.gz VBMRDOLBGNQAOV-GFCCVEGCSA-N 1 2 371.415 0.629 20 5 FCBDLO NS(=O)(=O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000372827129 489640876 /nfs/dbraw/zinc/64/08/76/489640876.db2.gz ZEVDCSIBWUFMPT-AWEZNQCLSA-N 1 2 368.415 0.453 20 5 FCBDLO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000489032004 489691621 /nfs/dbraw/zinc/69/16/21/489691621.db2.gz DGAJDZNLNBSQFC-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000489032004 489691625 /nfs/dbraw/zinc/69/16/25/489691625.db2.gz DGAJDZNLNBSQFC-AWEZNQCLSA-N 1 2 367.358 0.806 20 5 FCBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000459510398 489735248 /nfs/dbraw/zinc/73/52/48/489735248.db2.gz OFXSUIIHDUYATL-UHFFFAOYSA-N 1 2 355.420 0.147 20 5 FCBDLO COc1ccc(OCC[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000492891513 489838827 /nfs/dbraw/zinc/83/88/27/489838827.db2.gz KAPSIMSBIAIRRK-LBPRGKRZSA-N 1 2 350.331 0.218 20 5 FCBDLO COc1ccc(OCC[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000492891513 489838833 /nfs/dbraw/zinc/83/88/33/489838833.db2.gz KAPSIMSBIAIRRK-LBPRGKRZSA-N 1 2 350.331 0.218 20 5 FCBDLO Nc1[nH+]cnc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000434079562 489911827 /nfs/dbraw/zinc/91/18/27/489911827.db2.gz QSOLYFHLXLGFHI-UHFFFAOYSA-N 1 2 372.794 1.011 20 5 FCBDLO Nc1nc[nH+]c(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000434079562 489911830 /nfs/dbraw/zinc/91/18/30/489911830.db2.gz QSOLYFHLXLGFHI-UHFFFAOYSA-N 1 2 372.794 1.011 20 5 FCBDLO Cc1c(C(=O)NCc2[nH+]ccn2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000462004893 489950374 /nfs/dbraw/zinc/95/03/74/489950374.db2.gz GWOVGIWECBPGPT-UHFFFAOYSA-N 1 2 353.360 0.214 20 5 FCBDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NCC1CC1 ZINC000420977034 490037243 /nfs/dbraw/zinc/03/72/43/490037243.db2.gz UNRQSAJIANRHKN-UHFFFAOYSA-N 1 2 370.431 0.331 20 5 FCBDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)NCC1CC1 ZINC000420977034 490037246 /nfs/dbraw/zinc/03/72/46/490037246.db2.gz UNRQSAJIANRHKN-UHFFFAOYSA-N 1 2 370.431 0.331 20 5 FCBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465128651 490083201 /nfs/dbraw/zinc/08/32/01/490083201.db2.gz CASQMGRBKUNDSD-LBPRGKRZSA-N 1 2 365.386 0.745 20 5 FCBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465128651 490083206 /nfs/dbraw/zinc/08/32/06/490083206.db2.gz CASQMGRBKUNDSD-LBPRGKRZSA-N 1 2 365.386 0.745 20 5 FCBDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000445157264 490130448 /nfs/dbraw/zinc/13/04/48/490130448.db2.gz HXMMADNACGYKJM-NSHDSACASA-N 1 2 374.357 0.350 20 5 FCBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497048395 490136276 /nfs/dbraw/zinc/13/62/76/490136276.db2.gz CWURSKSLKBTADR-ZDUSSCGKSA-N 1 2 353.375 0.369 20 5 FCBDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000545474494 490141636 /nfs/dbraw/zinc/14/16/36/490141636.db2.gz GPEPMUPOEGQJGX-GFCCVEGCSA-N 1 2 352.395 0.048 20 5 FCBDLO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])c1 ZINC000446888334 490169090 /nfs/dbraw/zinc/16/90/90/490169090.db2.gz GWOYBKZKWQGLDT-GFCCVEGCSA-N 1 2 369.447 0.257 20 5 FCBDLO CS(=O)(=O)c1cccc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000497514864 490171716 /nfs/dbraw/zinc/17/17/16/490171716.db2.gz FUQXZLCGJFCXTK-GFCCVEGCSA-N 1 2 370.431 0.750 20 5 FCBDLO CS(=O)(=O)c1cccc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000497514864 490171723 /nfs/dbraw/zinc/17/17/23/490171723.db2.gz FUQXZLCGJFCXTK-GFCCVEGCSA-N 1 2 370.431 0.750 20 5 FCBDLO CCn1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])n1 ZINC000533179497 490190049 /nfs/dbraw/zinc/19/00/49/490190049.db2.gz PHLWFUFFVLZTEC-NSHDSACASA-N 1 2 361.424 0.058 20 5 FCBDLO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000533499828 490245918 /nfs/dbraw/zinc/24/59/18/490245918.db2.gz WOYHLEOZNXLGDX-UONOGXRCSA-N 1 2 364.402 0.516 20 5 FCBDLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)c1C ZINC000447708391 490261702 /nfs/dbraw/zinc/26/17/02/490261702.db2.gz RYAPKIIUKYXCPH-UHFFFAOYSA-N 1 2 372.345 1.230 20 5 FCBDLO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+]1CCN(C)CC1 ZINC000522146453 490346957 /nfs/dbraw/zinc/34/69/57/490346957.db2.gz DTZATSBUAAVKFV-CQSZACIVSA-N 1 2 362.434 0.274 20 5 FCBDLO CS(=O)(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448648948 490371783 /nfs/dbraw/zinc/37/17/83/490371783.db2.gz FWWNEAMKCUKNJA-UHFFFAOYSA-N 1 2 367.387 0.450 20 5 FCBDLO C[C@@H](CO)[N@@H+]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000468743916 490443672 /nfs/dbraw/zinc/44/36/72/490443672.db2.gz OECATCHZYVBOMP-LBPRGKRZSA-N 1 2 357.432 0.891 20 5 FCBDLO C[C@@H](CO)[N@H+]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 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CNC(=O)C[N@@H+]1CCCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001604882629 1287806970 /nfs/dbraw/zinc/80/69/70/1287806970.db2.gz YHVVXPGERQURTQ-UHFFFAOYSA-N 1 2 374.405 0.029 20 5 FCBDLO CNC(=O)C[N@H+]1CCCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001604882629 1287806973 /nfs/dbraw/zinc/80/69/73/1287806973.db2.gz YHVVXPGERQURTQ-UHFFFAOYSA-N 1 2 374.405 0.029 20 5 FCBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609156202 1288955375 /nfs/dbraw/zinc/95/53/75/1288955375.db2.gz DIJVWPWOFAKZOR-GHMZBOCLSA-N 1 2 360.378 0.469 20 5 FCBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609156205 1288955454 /nfs/dbraw/zinc/95/54/54/1288955454.db2.gz DIJVWPWOFAKZOR-WDEREUQCSA-N 1 2 360.378 0.469 20 5 FCBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753049204 1290619110 /nfs/dbraw/zinc/61/91/10/1290619110.db2.gz UYUBXRWCFXWINM-HUUCEWRRSA-N 1 2 366.393 0.497 20 5 FCBDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753049204 1290619115 /nfs/dbraw/zinc/61/91/15/1290619115.db2.gz UYUBXRWCFXWINM-HUUCEWRRSA-N 1 2 366.393 0.497 20 5 FCBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746468211 836185096 /nfs/dbraw/zinc/18/50/96/836185096.db2.gz OFVYCDFIRRXVDW-YMXBGEKHSA-N 1 2 368.459 0.918 20 5 FCBDLO CCC(CC)NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507964 849583288 /nfs/dbraw/zinc/58/32/88/849583288.db2.gz SJZCSNMBVRJJDD-ZIAGYGMSSA-N 1 2 352.435 0.491 20 5 FCBDLO CCC(CC)NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507964 849583294 /nfs/dbraw/zinc/58/32/94/849583294.db2.gz SJZCSNMBVRJJDD-ZIAGYGMSSA-N 1 2 352.435 0.491 20 5 FCBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001157773606 849993615 /nfs/dbraw/zinc/99/36/15/849993615.db2.gz PCNDZYWNZVUSNH-GFCCVEGCSA-N 1 2 352.347 0.460 20 5 FCBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001157773606 849993621 /nfs/dbraw/zinc/99/36/21/849993621.db2.gz PCNDZYWNZVUSNH-GFCCVEGCSA-N 1 2 352.347 0.460 20 5 FCBDLO CN(C)c1nc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ns1 ZINC001164490366 850413382 /nfs/dbraw/zinc/41/33/82/850413382.db2.gz GJHKKRKHVRYZOV-GHMZBOCLSA-N 1 2 368.463 0.645 20 5 FCBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001169019816 850602216 /nfs/dbraw/zinc/60/22/16/850602216.db2.gz JTUUHXCENDEHBP-KGLIPLIRSA-N 1 2 350.423 0.371 20 5 FCBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001169019816 850602222 /nfs/dbraw/zinc/60/22/22/850602222.db2.gz JTUUHXCENDEHBP-KGLIPLIRSA-N 1 2 350.423 0.371 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001308059845 866696284 /nfs/dbraw/zinc/69/62/84/866696284.db2.gz PJHZMHAKAWRNFW-GFCCVEGCSA-N 1 2 370.431 0.713 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CNS(C)(=O)=O)C1 ZINC001308059845 866696292 /nfs/dbraw/zinc/69/62/92/866696292.db2.gz PJHZMHAKAWRNFW-GFCCVEGCSA-N 1 2 370.431 0.713 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001318561850 867694971 /nfs/dbraw/zinc/69/49/71/867694971.db2.gz FAQWGIHCQVARRE-LLVKDONJSA-N 1 2 354.794 0.857 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001318561850 867694986 /nfs/dbraw/zinc/69/49/86/867694986.db2.gz FAQWGIHCQVARRE-LLVKDONJSA-N 1 2 354.794 0.857 20 5 FCBDLO Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]cn1 ZINC001321565812 868518321 /nfs/dbraw/zinc/51/83/21/868518321.db2.gz BZDOPAKBSDAIHN-UHFFFAOYSA-N 1 2 364.387 0.478 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292286832 214091382 /nfs/dbraw/zinc/09/13/82/214091382.db2.gz TYJAWXWCHOQXIJ-ZDUSSCGKSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292286832 214091386 /nfs/dbraw/zinc/09/13/86/214091386.db2.gz TYJAWXWCHOQXIJ-ZDUSSCGKSA-N 1 2 370.431 0.807 20 5 FCBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000293079835 214144146 /nfs/dbraw/zinc/14/41/46/214144146.db2.gz JPFPXCHXVXOAML-CQSZACIVSA-N 1 2 359.386 0.610 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295167417 214279968 /nfs/dbraw/zinc/27/99/68/214279968.db2.gz ABUUVWGSFSATJL-LLVKDONJSA-N 1 2 361.395 0.859 20 5 FCBDLO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295167417 214279971 /nfs/dbraw/zinc/27/99/71/214279971.db2.gz ABUUVWGSFSATJL-LLVKDONJSA-N 1 2 361.395 0.859 20 5 FCBDLO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc([N+](=O)[O-])cc1 ZINC000296866148 214366545 /nfs/dbraw/zinc/36/65/45/214366545.db2.gz ZEVVRHPDOYLWFI-VIFPVBQESA-N 1 2 358.358 0.719 20 5 FCBDLO Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000298229811 214530073 /nfs/dbraw/zinc/53/00/73/214530073.db2.gz KUCSYUXELCGYSM-UHFFFAOYSA-N 1 2 352.391 0.292 20 5 FCBDLO Cc1c(C(=O)NCCCn2cc[nH+]c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265391915 210118072 /nfs/dbraw/zinc/11/80/72/210118072.db2.gz DDQJUVBHWOMEKE-UHFFFAOYSA-N 1 2 367.387 0.567 20 5 FCBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331562453 215015238 /nfs/dbraw/zinc/01/52/38/215015238.db2.gz PSWWUWWVJCDFOP-ZDUSSCGKSA-N 1 2 364.450 0.893 20 5 FCBDLO CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000332170279 215104610 /nfs/dbraw/zinc/10/46/10/215104610.db2.gz SOUURDXYOMBRPN-CHWSQXEVSA-N 1 2 351.407 0.994 20 5 FCBDLO COc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000264855930 210001657 /nfs/dbraw/zinc/00/16/57/210001657.db2.gz NEUTZUNAQVUCAJ-UHFFFAOYSA-N 1 2 361.445 0.931 20 5 FCBDLO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)C1=O ZINC000332420729 215149847 /nfs/dbraw/zinc/14/98/47/215149847.db2.gz WMMHOYVAKFWRFX-AWEZNQCLSA-N 1 2 362.386 0.725 20 5 FCBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000263962141 209797263 /nfs/dbraw/zinc/79/72/63/209797263.db2.gz IPPGJQZYHHYWLD-JTQLQIEISA-N 1 2 361.358 0.596 20 5 FCBDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342205 213326069 /nfs/dbraw/zinc/32/60/69/213326069.db2.gz OWLRZSOLAIMAAQ-OCCSQVGLSA-N 1 2 369.443 0.761 20 5 FCBDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285342205 213326072 /nfs/dbraw/zinc/32/60/72/213326072.db2.gz OWLRZSOLAIMAAQ-OCCSQVGLSA-N 1 2 369.443 0.761 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000284515333 213158964 /nfs/dbraw/zinc/15/89/64/213158964.db2.gz ODNBBNOPUOVMSR-KGLIPLIRSA-N 1 2 351.407 0.730 20 5 FCBDLO Cc1nn(CCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000284515333 213158965 /nfs/dbraw/zinc/15/89/65/213158965.db2.gz ODNBBNOPUOVMSR-KGLIPLIRSA-N 1 2 351.407 0.730 20 5 FCBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284447841 213141830 /nfs/dbraw/zinc/14/18/30/213141830.db2.gz ZUVUOAVXKKPEHX-DGCLKSJQSA-N 1 2 364.358 0.890 20 5 FCBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000284447841 213141832 /nfs/dbraw/zinc/14/18/32/213141832.db2.gz ZUVUOAVXKKPEHX-DGCLKSJQSA-N 1 2 364.358 0.890 20 5 FCBDLO COCC(COC)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412555427 237227844 /nfs/dbraw/zinc/22/78/44/237227844.db2.gz QWZXOHDAFIXGJI-UHFFFAOYSA-N 1 2 367.402 0.779 20 5 FCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367087850 216073256 /nfs/dbraw/zinc/07/32/56/216073256.db2.gz ZLDQIPMIRCRDAK-INIZCTEOSA-N 1 2 369.381 0.893 20 5 FCBDLO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367926705 216178719 /nfs/dbraw/zinc/17/87/19/216178719.db2.gz IOWOSZOXOPCPNC-OLZOCXBDSA-N 1 2 373.406 0.954 20 5 FCBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000368119896 216204672 /nfs/dbraw/zinc/20/46/72/216204672.db2.gz ZHHAETWRICRRKY-ZBFHGGJFSA-N 1 2 359.386 0.634 20 5 FCBDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000368119896 216204674 /nfs/dbraw/zinc/20/46/74/216204674.db2.gz ZHHAETWRICRRKY-ZBFHGGJFSA-N 1 2 359.386 0.634 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000245662071 209371636 /nfs/dbraw/zinc/37/16/36/209371636.db2.gz FYCVPYUROYITMP-KBPBESRZSA-N 1 2 371.459 0.854 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000245662071 209371638 /nfs/dbraw/zinc/37/16/38/209371638.db2.gz FYCVPYUROYITMP-KBPBESRZSA-N 1 2 371.459 0.854 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193984418 209321344 /nfs/dbraw/zinc/32/13/44/209321344.db2.gz JIFCCWUYQRUWLV-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193984418 209321346 /nfs/dbraw/zinc/32/13/46/209321346.db2.gz JIFCCWUYQRUWLV-QWHCGFSZSA-N 1 2 357.432 0.979 20 5 FCBDLO O=C1C[C@H]([N@@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368881637 216311824 /nfs/dbraw/zinc/31/18/24/216311824.db2.gz GOVLPISRLOELOB-KBPBESRZSA-N 1 2 356.342 0.765 20 5 FCBDLO O=C1C[C@H]([N@H+]2CC[C@H](n3cncn3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000368881637 216311825 /nfs/dbraw/zinc/31/18/25/216311825.db2.gz GOVLPISRLOELOB-KBPBESRZSA-N 1 2 356.342 0.765 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376870 216391809 /nfs/dbraw/zinc/39/18/09/216391809.db2.gz ABZHUEMQOXIEHF-SNPRPXQTSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369376870 216391814 /nfs/dbraw/zinc/39/18/14/216391814.db2.gz ABZHUEMQOXIEHF-SNPRPXQTSA-N 1 2 354.359 0.597 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189543497 209253754 /nfs/dbraw/zinc/25/37/54/209253754.db2.gz FOKBHHHKFXHBQT-ZIAGYGMSSA-N 1 2 371.459 0.755 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189543497 209253751 /nfs/dbraw/zinc/25/37/51/209253751.db2.gz FOKBHHHKFXHBQT-ZIAGYGMSSA-N 1 2 371.459 0.755 20 5 FCBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000277237550 212342498 /nfs/dbraw/zinc/34/24/98/212342498.db2.gz YFFIMUZETXHFKE-CYBMUJFWSA-N 1 2 353.375 0.369 20 5 FCBDLO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000188282219 209228304 /nfs/dbraw/zinc/22/83/04/209228304.db2.gz PBUYJHDYIHGKLS-LLVKDONJSA-N 1 2 361.395 0.729 20 5 FCBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000187964208 209221195 /nfs/dbraw/zinc/22/11/95/209221195.db2.gz YCQABYLKDVMSSP-LBPRGKRZSA-N 1 2 357.432 0.899 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275461149 212031419 /nfs/dbraw/zinc/03/14/19/212031419.db2.gz BTQLIEMGFVYUQA-YUELXQCFSA-N 1 2 354.359 0.333 20 5 FCBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275461149 212031426 /nfs/dbraw/zinc/03/14/26/212031426.db2.gz BTQLIEMGFVYUQA-YUELXQCFSA-N 1 2 354.359 0.333 20 5 FCBDLO O=C(C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374170098 217105113 /nfs/dbraw/zinc/10/51/13/217105113.db2.gz HYGMEBQRGIFUAF-OCCSQVGLSA-N 1 2 360.370 0.914 20 5 FCBDLO O=C(C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374170098 217105116 /nfs/dbraw/zinc/10/51/16/217105116.db2.gz HYGMEBQRGIFUAF-OCCSQVGLSA-N 1 2 360.370 0.914 20 5 FCBDLO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000374798817 217174996 /nfs/dbraw/zinc/17/49/96/217174996.db2.gz KVUQOPOSJPXRIX-CVEARBPZSA-N 1 2 369.443 0.956 20 5 FCBDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cn1 ZINC000436114169 248033344 /nfs/dbraw/zinc/03/33/44/248033344.db2.gz YPWRIKIYXCMELU-UHFFFAOYSA-N 1 2 358.402 0.745 20 5 FCBDLO NC(=O)c1cccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000439096267 248109659 /nfs/dbraw/zinc/10/96/59/248109659.db2.gz GZPHQAHGDQLFLV-UHFFFAOYSA-N 1 2 361.402 0.438 20 5 FCBDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439103876 248110485 /nfs/dbraw/zinc/11/04/85/248110485.db2.gz XSXPFKZYNPQJTM-GFCCVEGCSA-N 1 2 363.418 0.730 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000453964383 249398314 /nfs/dbraw/zinc/39/83/14/249398314.db2.gz RPWCQQGUXMXSSM-OKILXGFUSA-N 1 2 362.386 0.821 20 5 FCBDLO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000453964383 249398321 /nfs/dbraw/zinc/39/83/21/249398321.db2.gz RPWCQQGUXMXSSM-OKILXGFUSA-N 1 2 362.386 0.821 20 5 FCBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000270699302 211250115 /nfs/dbraw/zinc/25/01/15/211250115.db2.gz FEHVXJMWHSQGDH-LBPRGKRZSA-N 1 2 359.390 0.653 20 5 FCBDLO CCCc1n[nH]c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1[N+](=O)[O-] ZINC000270432327 211199395 /nfs/dbraw/zinc/19/93/95/211199395.db2.gz GFBJZTMCXFQKHC-JTQLQIEISA-N 1 2 350.335 0.508 20 5 FCBDLO CCCc1n[nH]c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1[N+](=O)[O-] ZINC000270432327 211199399 /nfs/dbraw/zinc/19/93/99/211199399.db2.gz GFBJZTMCXFQKHC-JTQLQIEISA-N 1 2 350.335 0.508 20 5 FCBDLO Cc1nn(CCC(=O)NCC2([NH+]3CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000470159079 250029863 /nfs/dbraw/zinc/02/98/63/250029863.db2.gz SVURQBCWOUUTIV-UHFFFAOYSA-N 1 2 351.407 0.779 20 5 FCBDLO NC(=O)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000472346576 250146940 /nfs/dbraw/zinc/14/69/40/250146940.db2.gz FDVNJIXZRUWVQS-HNNXBMFYSA-N 1 2 350.375 0.118 20 5 FCBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000269784268 211078368 /nfs/dbraw/zinc/07/83/68/211078368.db2.gz IQYDRGBUDFKXSJ-ZDUSSCGKSA-N 1 2 373.431 0.217 20 5 FCBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481808823 250363336 /nfs/dbraw/zinc/36/33/36/250363336.db2.gz DOONYKNNNVWTOK-CYBMUJFWSA-N 1 2 373.417 0.664 20 5 FCBDLO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCN(C)CC1 ZINC000096999284 208159711 /nfs/dbraw/zinc/15/97/11/208159711.db2.gz JJOBWVXVZMEDJL-GFCCVEGCSA-N 1 2 374.438 0.896 20 5 FCBDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111615367 208281176 /nfs/dbraw/zinc/28/11/76/208281176.db2.gz WGADQIFYNIMRSR-GFCCVEGCSA-N 1 2 373.413 0.802 20 5 FCBDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267000577 210455587 /nfs/dbraw/zinc/45/55/87/210455587.db2.gz FKPRLEGKPUMTLB-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000266361256 210325773 /nfs/dbraw/zinc/32/57/73/210325773.db2.gz KTBNAYWXPUYIQV-UHFFFAOYSA-N 1 2 358.420 0.401 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411604441 533080165 /nfs/dbraw/zinc/08/01/65/533080165.db2.gz OEYGSHTXVBNTMR-ZFWWWQNUSA-N 1 2 351.359 0.922 20 5 FCBDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411604441 533080172 /nfs/dbraw/zinc/08/01/72/533080172.db2.gz OEYGSHTXVBNTMR-ZFWWWQNUSA-N 1 2 351.359 0.922 20 5 FCBDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175474091 533559321 /nfs/dbraw/zinc/55/93/21/533559321.db2.gz NJPLFWDITMJHMF-JKSUJKDBSA-N 1 2 360.370 0.752 20 5 FCBDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000175474091 533559324 /nfs/dbraw/zinc/55/93/24/533559324.db2.gz NJPLFWDITMJHMF-JKSUJKDBSA-N 1 2 360.370 0.752 20 5 FCBDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411604439 533565194 /nfs/dbraw/zinc/56/51/94/533565194.db2.gz OEYGSHTXVBNTMR-UKRRQHHQSA-N 1 2 351.359 0.922 20 5 FCBDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411604439 533565200 /nfs/dbraw/zinc/56/52/00/533565200.db2.gz OEYGSHTXVBNTMR-UKRRQHHQSA-N 1 2 351.359 0.922 20 5 FCBDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301211093 488877080 /nfs/dbraw/zinc/87/70/80/488877080.db2.gz WQSSDSCCIPPGCV-LLVKDONJSA-N 1 2 357.436 0.290 20 5 FCBDLO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363901037 488898447 /nfs/dbraw/zinc/89/84/47/488898447.db2.gz SBZNXLWTPUDOMQ-LBPRGKRZSA-N 1 2 363.370 0.913 20 5 FCBDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000327011426 488917733 /nfs/dbraw/zinc/91/77/33/488917733.db2.gz FIQVHTQKYIWSNK-UHFFFAOYSA-N 1 2 371.415 0.605 20 5 FCBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000279372743 488936596 /nfs/dbraw/zinc/93/65/96/488936596.db2.gz SRXJJSTXGHVXAF-ZDUSSCGKSA-N 1 2 364.402 0.504 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000015369314 487580461 /nfs/dbraw/zinc/58/04/61/487580461.db2.gz TVLDCPWBTKVDGG-UHFFFAOYSA-N 1 2 364.402 0.667 20 5 FCBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000026338215 487680140 /nfs/dbraw/zinc/68/01/40/487680140.db2.gz YPFUKOIQWGHSOP-UHFFFAOYSA-N 1 2 370.431 0.809 20 5 FCBDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026596219 487682592 /nfs/dbraw/zinc/68/25/92/487682592.db2.gz UBQSIRBCTMUKGR-ZDUSSCGKSA-N 1 2 351.407 0.653 20 5 FCBDLO CNC(=O)C1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000029164262 487718050 /nfs/dbraw/zinc/71/80/50/487718050.db2.gz WZIMWSQNMJRGEG-UHFFFAOYSA-N 1 2 364.358 0.720 20 5 FCBDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029870488 487735082 /nfs/dbraw/zinc/73/50/82/487735082.db2.gz LLGBJNAGEOAKRW-UHFFFAOYSA-N 1 2 357.388 0.464 20 5 FCBDLO O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032627387 487778356 /nfs/dbraw/zinc/77/83/56/487778356.db2.gz CJBDDWZKADTRIS-LLVKDONJSA-N 1 2 350.356 0.697 20 5 FCBDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000032920668 487786830 /nfs/dbraw/zinc/78/68/30/487786830.db2.gz FEUPSLDVWIFWSC-CYBMUJFWSA-N 1 2 360.414 0.949 20 5 FCBDLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000046999071 488007101 /nfs/dbraw/zinc/00/71/01/488007101.db2.gz DRYXKYABLSLURD-UHFFFAOYSA-N 1 2 357.370 0.980 20 5 FCBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000047639826 488040334 /nfs/dbraw/zinc/04/03/34/488040334.db2.gz GVVSTGZANZGUTA-STQMWFEESA-N 1 2 364.402 0.550 20 5 FCBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000051824297 488147434 /nfs/dbraw/zinc/14/74/34/488147434.db2.gz KNIOAEADRZEBJD-GFCCVEGCSA-N 1 2 365.415 0.672 20 5 FCBDLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055017471 488233989 /nfs/dbraw/zinc/23/39/89/488233989.db2.gz ICBWWUDQLVZOFC-UHFFFAOYSA-N 1 2 364.402 0.596 20 5 FCBDLO C[C@@H]1C[NH+](C[C@H](O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C[C@@H](C)O1 ZINC000066482024 488330067 /nfs/dbraw/zinc/33/00/67/488330067.db2.gz KDCJHUHJWUXLBL-WZRBSPASSA-N 1 2 363.370 0.661 20 5 FCBDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378293 488349595 /nfs/dbraw/zinc/34/95/95/488349595.db2.gz PSAOKNXYQQFRSC-HNNXBMFYSA-N 1 2 364.402 0.785 20 5 FCBDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378293 488349596 /nfs/dbraw/zinc/34/95/96/488349596.db2.gz PSAOKNXYQQFRSC-HNNXBMFYSA-N 1 2 364.402 0.785 20 5 FCBDLO COc1ccc(CC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000069576676 488373451 /nfs/dbraw/zinc/37/34/51/488373451.db2.gz NGZSSEUWQJEYDJ-ZDUSSCGKSA-N 1 2 350.419 0.898 20 5 FCBDLO NC(=O)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000183812549 488393956 /nfs/dbraw/zinc/39/39/56/488393956.db2.gz TXKJUVHECNDPDG-UHFFFAOYSA-N 1 2 357.164 0.903 20 5 FCBDLO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000187960713 488411039 /nfs/dbraw/zinc/41/10/39/488411039.db2.gz SIMFBEWXGYDUTI-ZDUSSCGKSA-N 1 2 357.432 0.899 20 5 FCBDLO Cn1cc(S(=O)(=O)NCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088606487 488456257 /nfs/dbraw/zinc/45/62/57/488456257.db2.gz CVUIPARTLFKKGF-UHFFFAOYSA-N 1 2 365.415 0.665 20 5 FCBDLO Cn1cc(S(=O)(=O)NCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088606487 488456260 /nfs/dbraw/zinc/45/62/60/488456260.db2.gz CVUIPARTLFKKGF-UHFFFAOYSA-N 1 2 365.415 0.665 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000249173894 488506748 /nfs/dbraw/zinc/50/67/48/488506748.db2.gz LTLKBFHAWBDXCO-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000249173894 488506750 /nfs/dbraw/zinc/50/67/50/488506750.db2.gz LTLKBFHAWBDXCO-STQMWFEESA-N 1 2 357.432 0.979 20 5 FCBDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249239645 488507443 /nfs/dbraw/zinc/50/74/43/488507443.db2.gz WNRPMCOYNCSFHU-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249239645 488507445 /nfs/dbraw/zinc/50/74/45/488507445.db2.gz WNRPMCOYNCSFHU-OLZOCXBDSA-N 1 2 357.432 0.812 20 5 FCBDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000271621209 488532442 /nfs/dbraw/zinc/53/24/42/488532442.db2.gz DZAJVOYWYFQMPV-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000271621209 488532444 /nfs/dbraw/zinc/53/24/44/488532444.db2.gz DZAJVOYWYFQMPV-LBPRGKRZSA-N 1 2 371.415 0.853 20 5 FCBDLO NS(=O)(=O)c1cccc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000272354930 488575389 /nfs/dbraw/zinc/57/53/89/488575389.db2.gz DPHKPBLRDOVXJY-UHFFFAOYSA-N 1 2 363.399 0.964 20 5 FCBDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000122431125 488578218 /nfs/dbraw/zinc/57/82/18/488578218.db2.gz PFWQDTNAHMZSGN-GHMZBOCLSA-N 1 2 361.395 0.810 20 5 FCBDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000122431125 488578219 /nfs/dbraw/zinc/57/82/19/488578219.db2.gz PFWQDTNAHMZSGN-GHMZBOCLSA-N 1 2 361.395 0.810 20 5 FCBDLO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000263739740 488623495 /nfs/dbraw/zinc/62/34/95/488623495.db2.gz RBKGFGUPYYHRQI-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCO1 ZINC000263739740 488623496 /nfs/dbraw/zinc/62/34/96/488623496.db2.gz RBKGFGUPYYHRQI-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273209814 488637757 /nfs/dbraw/zinc/63/77/57/488637757.db2.gz UBOBHBDREGINLU-CYBMUJFWSA-N 1 2 358.416 0.844 20 5 FCBDLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273209814 488637759 /nfs/dbraw/zinc/63/77/59/488637759.db2.gz UBOBHBDREGINLU-CYBMUJFWSA-N 1 2 358.416 0.844 20 5 FCBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130920806 488641342 /nfs/dbraw/zinc/64/13/42/488641342.db2.gz AHTGPLBRJNHXOV-UHFFFAOYSA-N 1 2 372.381 0.807 20 5 FCBDLO CC[NH+]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000263985047 488641450 /nfs/dbraw/zinc/64/14/50/488641450.db2.gz HSHNABQTINTABK-UHFFFAOYSA-N 1 2 357.388 0.692 20 5 FCBDLO C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264242109 488657734 /nfs/dbraw/zinc/65/77/34/488657734.db2.gz BQTISZHUGXYOKA-CHWSQXEVSA-N 1 2 364.402 0.550 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000264595454 488688659 /nfs/dbraw/zinc/68/86/59/488688659.db2.gz HYALTEJYDKVJMG-RISCZKNCSA-N 1 2 351.359 0.840 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000264595454 488688660 /nfs/dbraw/zinc/68/86/60/488688660.db2.gz HYALTEJYDKVJMG-RISCZKNCSA-N 1 2 351.359 0.840 20 5 FCBDLO COc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000264725691 488703484 /nfs/dbraw/zinc/70/34/84/488703484.db2.gz MATZLERBHOPEEE-CYBMUJFWSA-N 1 2 351.407 0.648 20 5 FCBDLO COc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000264725691 488703486 /nfs/dbraw/zinc/70/34/86/488703486.db2.gz MATZLERBHOPEEE-CYBMUJFWSA-N 1 2 351.407 0.648 20 5 FCBDLO CNS(=O)(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000264742504 488705747 /nfs/dbraw/zinc/70/57/47/488705747.db2.gz SIARQIYYYAHHKP-UHFFFAOYSA-N 1 2 371.415 0.975 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000264772525 488709680 /nfs/dbraw/zinc/70/96/80/488709680.db2.gz RPSZGRMHVGKZCM-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1C ZINC000264772525 488709682 /nfs/dbraw/zinc/70/96/82/488709682.db2.gz RPSZGRMHVGKZCM-CYBMUJFWSA-N 1 2 356.448 0.736 20 5 FCBDLO CC(C)[NH+]1CC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000275235476 488775464 /nfs/dbraw/zinc/77/54/64/488775464.db2.gz NGELRVGXUYZZFS-UHFFFAOYSA-N 1 2 352.416 0.995 20 5 FCBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000267633248 488807638 /nfs/dbraw/zinc/80/76/38/488807638.db2.gz GBFTUBXZSQOHNR-GFCCVEGCSA-N 1 2 371.365 0.264 20 5 FCBDLO O=C(c1cccs1)N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174663115 488850767 /nfs/dbraw/zinc/85/07/67/488850767.db2.gz FRNHHRRQGJQWSW-CYBMUJFWSA-N 1 2 365.415 0.672 20 5 FCBDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000365080551 489036083 /nfs/dbraw/zinc/03/60/83/489036083.db2.gz VSJBEQVLLQEOEN-UHFFFAOYSA-N 1 2 367.406 0.587 20 5 FCBDLO CCOC(=O)C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000365080551 489036084 /nfs/dbraw/zinc/03/60/84/489036084.db2.gz VSJBEQVLLQEOEN-UHFFFAOYSA-N 1 2 367.406 0.587 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000289283626 489055944 /nfs/dbraw/zinc/05/59/44/489055944.db2.gz GMRWBVFOAAMVRP-UHFFFAOYSA-N 1 2 365.415 0.867 20 5 FCBDLO COc1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000365398280 489071888 /nfs/dbraw/zinc/07/18/88/489071888.db2.gz YKHSDBZYZMLSCW-UHFFFAOYSA-N 1 2 366.374 0.245 20 5 FCBDLO COc1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000365398280 489071891 /nfs/dbraw/zinc/07/18/91/489071891.db2.gz YKHSDBZYZMLSCW-UHFFFAOYSA-N 1 2 366.374 0.245 20 5 FCBDLO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366053565 489139452 /nfs/dbraw/zinc/13/94/52/489139452.db2.gz RURIVPKASMXVNA-OAHLLOKOSA-N 1 2 362.386 0.258 20 5 FCBDLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282421871 489162708 /nfs/dbraw/zinc/16/27/08/489162708.db2.gz JJYWSOADMMBIPI-LALPHHSUSA-N 1 2 354.359 0.597 20 5 FCBDLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000282421871 489162710 /nfs/dbraw/zinc/16/27/10/489162710.db2.gz JJYWSOADMMBIPI-LALPHHSUSA-N 1 2 354.359 0.597 20 5 FCBDLO CC(C)NS(=O)(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000283664886 489288721 /nfs/dbraw/zinc/28/87/21/489288721.db2.gz CCSFWVFNTWCQFP-UHFFFAOYSA-N 1 2 372.447 0.834 20 5 FCBDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000298674250 489351999 /nfs/dbraw/zinc/35/19/99/489351999.db2.gz RORJMFTYRRLFFP-LBPRGKRZSA-N 1 2 350.375 0.367 20 5 FCBDLO O=C(Nc1cccc([N+](=O)[O-])c1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000298797082 489366237 /nfs/dbraw/zinc/36/62/37/489366237.db2.gz YTACTFQUIHUEPD-UHFFFAOYSA-N 1 2 356.766 0.323 20 5 FCBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000361982774 489370768 /nfs/dbraw/zinc/37/07/68/489370768.db2.gz VUICBEAZYSJCHQ-JSGCOSHPSA-N 1 2 355.416 0.815 20 5 FCBDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(C)(C)CO)c([N+](=O)[O-])c2)CC1 ZINC000299401333 489437947 /nfs/dbraw/zinc/43/79/47/489437947.db2.gz CHRDFFXFCNNXSC-UHFFFAOYSA-N 1 2 372.447 0.714 20 5 FCBDLO O=C(N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371027291 489440270 /nfs/dbraw/zinc/44/02/70/489440270.db2.gz HDDYTQCTXBIIMB-GFCCVEGCSA-N 1 2 354.432 0.793 20 5 FCBDLO NC(=O)C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000371218972 489467644 /nfs/dbraw/zinc/46/76/44/489467644.db2.gz ISGCCUSQGWLVRI-UHFFFAOYSA-N 1 2 359.342 0.545 20 5 FCBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371309989 489476120 /nfs/dbraw/zinc/47/61/20/489476120.db2.gz FIYVLPLFZXPBPJ-UONOGXRCSA-N 1 2 350.379 0.566 20 5 FCBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371309989 489476121 /nfs/dbraw/zinc/47/61/21/489476121.db2.gz FIYVLPLFZXPBPJ-UONOGXRCSA-N 1 2 350.379 0.566 20 5 FCBDLO CCc1n[nH]c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000363592612 489482034 /nfs/dbraw/zinc/48/20/34/489482034.db2.gz PKERELCEDPOWQU-OAHLLOKOSA-N 1 2 369.447 0.818 20 5 FCBDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451815973 489525016 /nfs/dbraw/zinc/52/50/16/489525016.db2.gz WLFWUPVZUYUTKJ-CMPLNLGQSA-N 1 2 364.383 0.943 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000451894978 489529415 /nfs/dbraw/zinc/52/94/15/489529415.db2.gz WLJYZACOQNNURM-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000451894978 489529418 /nfs/dbraw/zinc/52/94/18/489529418.db2.gz WLJYZACOQNNURM-BETUJISGSA-N 1 2 357.432 0.979 20 5 FCBDLO O=Cc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372110474 489545536 /nfs/dbraw/zinc/54/55/36/489545536.db2.gz DXZMJLYPXOJUJR-AWEZNQCLSA-N 1 2 363.370 0.719 20 5 FCBDLO CNc1nc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000455864282 489602128 /nfs/dbraw/zinc/60/21/28/489602128.db2.gz QZDDQAFFFSCYJP-LLVKDONJSA-N 1 2 365.390 0.741 20 5 FCBDLO CC(C)(CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000427499196 489611834 /nfs/dbraw/zinc/61/18/34/489611834.db2.gz INTCELLEMUYHHY-UHFFFAOYSA-N 1 2 358.420 0.765 20 5 FCBDLO COc1cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000428532505 489652066 /nfs/dbraw/zinc/65/20/66/489652066.db2.gz BWGGLIUMLUXCRS-NSHDSACASA-N 1 2 353.375 0.751 20 5 FCBDLO COc1cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000428532505 489652068 /nfs/dbraw/zinc/65/20/68/489652068.db2.gz BWGGLIUMLUXCRS-NSHDSACASA-N 1 2 353.375 0.751 20 5 FCBDLO CNS(=O)(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372932165 489653304 /nfs/dbraw/zinc/65/33/04/489653304.db2.gz WHQFFQSCIFOSTB-GFCCVEGCSA-N 1 2 370.431 0.414 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428780456 489664504 /nfs/dbraw/zinc/66/45/04/489664504.db2.gz PWNMYMXOMGIQBI-ZDUSSCGKSA-N 1 2 370.431 0.807 20 5 FCBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428780456 489664505 /nfs/dbraw/zinc/66/45/05/489664505.db2.gz PWNMYMXOMGIQBI-ZDUSSCGKSA-N 1 2 370.431 0.807 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418125481 489679162 /nfs/dbraw/zinc/67/91/62/489679162.db2.gz NRNFFPJYCTXWKC-GFCCVEGCSA-N 1 2 351.359 0.857 20 5 FCBDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000418125481 489679164 /nfs/dbraw/zinc/67/91/64/489679164.db2.gz NRNFFPJYCTXWKC-GFCCVEGCSA-N 1 2 351.359 0.857 20 5 FCBDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373234969 489680808 /nfs/dbraw/zinc/68/08/08/489680808.db2.gz XRRMNUSWNGFVQO-JTQLQIEISA-N 1 2 361.410 1.023 20 5 FCBDLO COC(=O)COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475691150 489842612 /nfs/dbraw/zinc/84/26/12/489842612.db2.gz CTNFQGUKGWMBET-LBPRGKRZSA-N 1 2 364.358 0.356 20 5 FCBDLO COC(=O)COc1ccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475691150 489842617 /nfs/dbraw/zinc/84/26/17/489842617.db2.gz CTNFQGUKGWMBET-LBPRGKRZSA-N 1 2 364.358 0.356 20 5 FCBDLO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](CCO)CC1 ZINC000432565807 489847987 /nfs/dbraw/zinc/84/79/87/489847987.db2.gz BYMUDKZRVDGREK-UHFFFAOYSA-N 1 2 360.370 0.658 20 5 FCBDLO CCOC(=O)[C@@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000460103585 489848968 /nfs/dbraw/zinc/84/89/68/489848968.db2.gz JKWQJIDGJZOHNO-INIZCTEOSA-N 1 2 362.342 0.824 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000476085910 489867377 /nfs/dbraw/zinc/86/73/77/489867377.db2.gz NDEDJPPBYJWFCU-AWEZNQCLSA-N 1 2 359.386 0.959 20 5 FCBDLO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000476085910 489867381 /nfs/dbraw/zinc/86/73/81/489867381.db2.gz NDEDJPPBYJWFCU-AWEZNQCLSA-N 1 2 359.386 0.959 20 5 FCBDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)cn1 ZINC000476372488 489882978 /nfs/dbraw/zinc/88/29/78/489882978.db2.gz ISIVVHNDUOKTOA-UHFFFAOYSA-N 1 2 361.406 0.893 20 5 FCBDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)cn1 ZINC000476372488 489882981 /nfs/dbraw/zinc/88/29/81/489882981.db2.gz 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C[S@](=O)CC[NH+]1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591683698 1284827118 /nfs/dbraw/zinc/82/71/18/1284827118.db2.gz FWMYQYXGSUVTBS-VWLOTQADSA-N 1 2 365.419 0.275 20 5 FCBDLO Cn1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c([N+](=O)[O-])n1 ZINC001592571796 1285489748 /nfs/dbraw/zinc/48/97/48/1285489748.db2.gz UCUDVTNISDOFSK-UHFFFAOYSA-N 1 2 369.389 0.831 20 5 FCBDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609405601 1289139380 /nfs/dbraw/zinc/13/93/80/1289139380.db2.gz QXDPGSYAFWBLNS-UHFFFAOYSA-N 1 2 374.405 0.469 20 5 FCBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(-c2nn[nH]n2)c1 ZINC001607082306 1288651577 /nfs/dbraw/zinc/65/15/77/1288651577.db2.gz NZCZTHDVNDPFEK-UHFFFAOYSA-N 1 2 355.362 0.820 20 5 FCBDLO Cc1nnsc1CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001690058620 1294852591 /nfs/dbraw/zinc/85/25/91/1294852591.db2.gz WLAQZFIRTVQMHW-CHWSQXEVSA-N 1 2 368.463 0.136 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000746467347 836183978 /nfs/dbraw/zinc/18/39/78/836183978.db2.gz AVSWOJBMALWSFH-ODCWNRFASA-N 1 2 371.459 0.331 20 5 FCBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OCC(N)=O)CC1 ZINC001116333365 846658394 /nfs/dbraw/zinc/65/83/94/846658394.db2.gz FGAPTDRVAWSTGI-UHFFFAOYSA-N 1 2 350.375 0.808 20 5 FCBDLO O=C(NCC[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936826 848713971 /nfs/dbraw/zinc/71/39/71/848713971.db2.gz SSKRWEJPBSGKML-ZYHUDNBSSA-N 1 2 365.777 0.860 20 5 FCBDLO CS(=O)(=O)CC1(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC001147506245 849583137 /nfs/dbraw/zinc/58/31/37/849583137.db2.gz DVBSVQLZNPWQHW-CHWSQXEVSA-N 1 2 371.459 0.011 20 5 FCBDLO CS(=O)(=O)CC1(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)CC1 ZINC001147506245 849583141 /nfs/dbraw/zinc/58/31/41/849583141.db2.gz DVBSVQLZNPWQHW-CHWSQXEVSA-N 1 2 371.459 0.011 20 5 FCBDLO 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O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([N@H+]2C[C@@H](O)[C@@H](F)C2)CC1 ZINC001173698043 850733889 /nfs/dbraw/zinc/73/38/89/850733889.db2.gz ZUFCKVNFIXYARX-GXTWGEPZSA-N 1 2 373.406 0.763 20 5 FCBDLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NCc1ccco1 ZINC001227251919 857152838 /nfs/dbraw/zinc/15/28/38/857152838.db2.gz IURCAZORADVMFQ-ZIAGYGMSSA-N 1 2 350.375 0.142 20 5 FCBDLO CC(C)Cn1c(CCC[N+](=O)[O-])nnc1N(C)CC[NH+]1CCOCC1 ZINC001263420073 859162535 /nfs/dbraw/zinc/16/25/35/859162535.db2.gz YZLLFEHGWLUTRU-UHFFFAOYSA-N 1 2 354.455 0.912 20 5 FCBDLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001324933749 869721581 /nfs/dbraw/zinc/72/15/81/869721581.db2.gz RAJXUANSJFBMKF-JTQLQIEISA-N 1 2 372.784 0.996 20 5 FCBDLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001324933749 869721587 /nfs/dbraw/zinc/72/15/87/869721587.db2.gz RAJXUANSJFBMKF-JTQLQIEISA-N 1 2 372.784 0.996 20 5 FCBDLO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCN(S(C)(=O)=O)C1 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/nfs/dbraw/zinc/61/51/04/489615104.db2.gz TUVCRIOJCUCYNO-LBPRGKRZSA-N 1 2 371.415 0.629 20 5 FCBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(CCO)CC[NH+]1CCOCC1 ZINC000489628745 489721789 /nfs/dbraw/zinc/72/17/89/489721789.db2.gz WNWLGSKQUTWEEJ-UHFFFAOYSA-N 1 2 367.358 0.090 20 5 FCBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+](CCn2cncn2)CC1 ZINC000489829641 489730346 /nfs/dbraw/zinc/73/03/46/489730346.db2.gz SRXFVIIWXOICIX-UHFFFAOYSA-N 1 2 374.357 0.373 20 5 FCBDLO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000472691559 489735022 /nfs/dbraw/zinc/73/50/22/489735022.db2.gz PCQMVAYCPPCRSD-JTQLQIEISA-N 1 2 354.338 0.197 20 5 FCBDLO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000472691559 489735023 /nfs/dbraw/zinc/73/50/23/489735023.db2.gz PCQMVAYCPPCRSD-JTQLQIEISA-N 1 2 354.338 0.197 20 5 FCBDLO CCN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000474736073 489783117 /nfs/dbraw/zinc/78/31/17/489783117.db2.gz KETTZOKHMMHLJP-ZDUSSCGKSA-N 1 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CC(C)C[N@@H+]1CCO[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820093016 607163838 /nfs/dbraw/zinc/16/38/38/607163838.db2.gz RJSBLBRCEZOLQD-LLVKDONJSA-N 1 2 362.394 0.939 20 5 FCBDLO CC(C)C[N@H+]1CCO[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820093016 607163840 /nfs/dbraw/zinc/16/38/40/607163840.db2.gz RJSBLBRCEZOLQD-LLVKDONJSA-N 1 2 362.394 0.939 20 5 FCBDLO CC[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000820993716 607174305 /nfs/dbraw/zinc/17/43/05/607174305.db2.gz ARKYWOVSRGDOEV-AAEUAGOBSA-N 1 2 374.405 0.717 20 5 FCBDLO CCn1ncnc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964443 665219502 /nfs/dbraw/zinc/21/95/02/665219502.db2.gz ISRMZAQUBLHQDU-ZIAGYGMSSA-N 1 2 350.423 0.634 20 5 FCBDLO CCn1ncnc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964443 665219504 /nfs/dbraw/zinc/21/95/04/665219504.db2.gz ISRMZAQUBLHQDU-ZIAGYGMSSA-N 1 2 350.423 0.634 20 5 FCBDLO COCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000996428797 666921102 /nfs/dbraw/zinc/92/11/02/666921102.db2.gz HNDILAQCRGFUOA-VXGBXAGGSA-N 1 2 353.379 0.004 20 5 FCBDLO COCCc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429745 666921157 /nfs/dbraw/zinc/92/11/57/666921157.db2.gz VUAPRESDIQZKMO-VXGBXAGGSA-N 1 2 353.379 0.004 20 5 FCBDLO O=C(C[NH+]1CCC(C(=O)NCCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000920257654 667229124 /nfs/dbraw/zinc/22/91/24/667229124.db2.gz GNRVFYXGZKVUHL-UHFFFAOYSA-N 1 2 350.375 0.354 20 5 FCBDLO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000753920478 667575965 /nfs/dbraw/zinc/57/59/65/667575965.db2.gz DYXLRAYLFJGXLO-CYBMUJFWSA-N 1 2 355.322 0.936 20 5 FCBDLO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000753920478 667575968 /nfs/dbraw/zinc/57/59/68/667575968.db2.gz DYXLRAYLFJGXLO-CYBMUJFWSA-N 1 2 355.322 0.936 20 5 FCBDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774904371 668182236 /nfs/dbraw/zinc/18/22/36/668182236.db2.gz RIHHAMYQKWJYJO-XMMPIXPASA-N 1 2 356.404 0.999 20 5 FCBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771145616 668240850 /nfs/dbraw/zinc/24/08/50/668240850.db2.gz KOYZPXSRBQSMBN-DEOSSOPVSA-N 1 2 354.432 0.455 20 5 FCBDLO CC(C)(CCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)[N+](=O)[O-] ZINC000822595939 669279820 /nfs/dbraw/zinc/27/98/20/669279820.db2.gz LVISSPRGRBORCJ-UHFFFAOYSA-N 1 2 350.423 0.550 20 5 FCBDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000807283434 669481896 /nfs/dbraw/zinc/48/18/96/669481896.db2.gz HQZIIPNZPHRDQZ-SECBINFHSA-N 1 2 350.335 0.609 20 5 FCBDLO O=C(C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831732558 669864528 /nfs/dbraw/zinc/86/45/28/669864528.db2.gz ADINHODQVCBKIN-DTORHVGOSA-N 1 2 352.734 0.391 20 5 FCBDLO O=C(C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000831732558 669864530 /nfs/dbraw/zinc/86/45/30/669864530.db2.gz ADINHODQVCBKIN-DTORHVGOSA-N 1 2 352.734 0.391 20 5 FCBDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000842962901 670758558 /nfs/dbraw/zinc/75/85/58/670758558.db2.gz BEFMUQGTFVFSBJ-JSGCOSHPSA-N 1 2 356.379 0.460 20 5 FCBDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000842962901 670758560 /nfs/dbraw/zinc/75/85/60/670758560.db2.gz BEFMUQGTFVFSBJ-JSGCOSHPSA-N 1 2 356.379 0.460 20 5 FCBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848585502 671284763 /nfs/dbraw/zinc/28/47/63/671284763.db2.gz MPVSHLHAELRTRC-GFCCVEGCSA-N 1 2 356.329 0.682 20 5 FCBDLO COCc1nc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cs1 ZINC001048814295 675898188 /nfs/dbraw/zinc/89/81/88/675898188.db2.gz DAJOXMMGVXEFRV-ZMJPVWNMSA-N 1 2 366.443 0.845 20 5 FCBDLO COCc1nc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cs1 ZINC001048814295 675898192 /nfs/dbraw/zinc/89/81/92/675898192.db2.gz DAJOXMMGVXEFRV-ZMJPVWNMSA-N 1 2 366.443 0.845 20 5 FCBDLO COc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)on1 ZINC001050516504 676085272 /nfs/dbraw/zinc/08/52/72/676085272.db2.gz DGACVPAFDWZIDE-CHWSQXEVSA-N 1 2 350.375 0.773 20 5 FCBDLO O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC000973252455 1182139751 /nfs/dbraw/zinc/13/97/51/1182139751.db2.gz IIVQGMDGHKZMQD-NLRBGTRBSA-N 1 2 370.369 0.310 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cnnn3-c3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776031 1182831724 /nfs/dbraw/zinc/83/17/24/1182831724.db2.gz UKWVESNMCPKHKB-UUAJXVIYSA-N 1 2 368.397 0.479 20 5 FCBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cnnn3-c3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776031 1182831726 /nfs/dbraw/zinc/83/17/26/1182831726.db2.gz UKWVESNMCPKHKB-UUAJXVIYSA-N 1 2 368.397 0.479 20 5 FCBDLO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCCCC1 ZINC001025776673 1182832412 /nfs/dbraw/zinc/83/24/12/1182832412.db2.gz DWBCVFYWLJZUMR-GAGVYUBLSA-N 1 2 364.446 0.491 20 5 FCBDLO O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCCCC1 ZINC001025776673 1182832414 /nfs/dbraw/zinc/83/24/14/1182832414.db2.gz DWBCVFYWLJZUMR-GAGVYUBLSA-N 1 2 364.446 0.491 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000981138452 1186329451 /nfs/dbraw/zinc/32/94/51/1186329451.db2.gz SZBOWSONXOABRC-ZIAGYGMSSA-N 1 2 361.402 0.759 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000981138452 1186329458 /nfs/dbraw/zinc/32/94/58/1186329458.db2.gz SZBOWSONXOABRC-ZIAGYGMSSA-N 1 2 361.402 0.759 20 5 FCBDLO CCc1noc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)n1 ZINC000982278715 1186694926 /nfs/dbraw/zinc/69/49/26/1186694926.db2.gz PGIZYCCLMYEIIN-SKNMWMDOSA-N 1 2 363.418 0.968 20 5 FCBDLO CCc1noc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)n1 ZINC000982278715 1186694927 /nfs/dbraw/zinc/69/49/27/1186694927.db2.gz PGIZYCCLMYEIIN-SKNMWMDOSA-N 1 2 363.418 0.968 20 5 FCBDLO COc1ccccc1-c1noc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126942729 1194948710 /nfs/dbraw/zinc/94/87/10/1194948710.db2.gz FWNFWRQDOHXQGK-VXGBXAGGSA-N 1 2 361.358 0.616 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592195017 1196561101 /nfs/dbraw/zinc/56/11/01/1196561101.db2.gz ITAINEYOYYZSIL-OCCSQVGLSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592195017 1196561103 /nfs/dbraw/zinc/56/11/03/1196561103.db2.gz ITAINEYOYYZSIL-OCCSQVGLSA-N 1 2 363.370 0.340 20 5 FCBDLO COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000592905775 1196587510 /nfs/dbraw/zinc/58/75/10/1196587510.db2.gz AVEIVWPFPSKQAQ-CHWSQXEVSA-N 1 2 374.353 0.777 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000788379015 1200958227 /nfs/dbraw/zinc/95/82/27/1200958227.db2.gz SNOQNNLZASVCCE-GFCCVEGCSA-N 1 2 362.386 0.801 20 5 FCBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000790132744 1201055275 /nfs/dbraw/zinc/05/52/75/1201055275.db2.gz QQNBWNSDSQYEGJ-CYBMUJFWSA-N 1 2 365.386 0.965 20 5 FCBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000807280480 1202816533 /nfs/dbraw/zinc/81/65/33/1202816533.db2.gz KNOAKUFSFDWHQN-LBPRGKRZSA-N 1 2 362.342 0.700 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nc(Cc3ccccc3)no2)c1 ZINC000818979685 1203146814 /nfs/dbraw/zinc/14/68/14/1203146814.db2.gz UHXZXGWSQDVHQV-AWEZNQCLSA-N 1 2 358.358 0.916 20 5 FCBDLO NC(=O)c1cc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC001220176629 1224794949 /nfs/dbraw/zinc/79/49/49/1224794949.db2.gz KYVRLNOGYKWRLC-TXEJJXNPSA-N 1 2 363.374 0.678 20 5 FCBDLO NC(=O)c1cc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC001220176629 1224794955 /nfs/dbraw/zinc/79/49/55/1224794955.db2.gz KYVRLNOGYKWRLC-TXEJJXNPSA-N 1 2 363.374 0.678 20 5 FCBDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001220176704 1224795602 /nfs/dbraw/zinc/79/56/02/1224795602.db2.gz LSSLOOJMIPCBJD-NSHDSACASA-N 1 2 364.406 0.451 20 5 FCBDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000952750713 1212977322 /nfs/dbraw/zinc/97/73/22/1212977322.db2.gz LROGPNIYHVQZBY-AYRXBEOTSA-N 1 2 361.402 0.220 20 5 FCBDLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000955200010 1213136300 /nfs/dbraw/zinc/13/63/00/1213136300.db2.gz GZTIHUIRBMCJKU-HZPDHXFCSA-N 1 2 369.381 0.820 20 5 FCBDLO CC(C)(C(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)c1c[nH+]c[nH]1 ZINC000961553216 1214225683 /nfs/dbraw/zinc/22/56/83/1214225683.db2.gz ILOPSIMJPFOHBW-YVECIDJPSA-N 1 2 361.402 0.269 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048814546 1218319596 /nfs/dbraw/zinc/31/95/96/1218319596.db2.gz RHHSQLKAXFNQRR-OCVGTWLNSA-N 1 2 360.418 0.244 20 5 FCBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cn(CC4CC4)nn3)C[C@@H]2C1 ZINC001048814546 1218319602 /nfs/dbraw/zinc/31/96/02/1218319602.db2.gz RHHSQLKAXFNQRR-OCVGTWLNSA-N 1 2 360.418 0.244 20 5 FCBDLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001054895239 1218964738 /nfs/dbraw/zinc/96/47/38/1218964738.db2.gz QHOYZAIJTTUEOE-KBUPBQIOSA-N 1 2 363.418 0.587 20 5 FCBDLO O=C(Cn1cc[nH+]c1)NCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001070318499 1219372183 /nfs/dbraw/zinc/37/21/83/1219372183.db2.gz UPBOFSUKORRFRL-HZPDHXFCSA-N 1 2 369.381 0.707 20 5 FCBDLO Cn1nnc(C[NH2+]CC(C)(C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001101540567 1220377506 /nfs/dbraw/zinc/37/75/06/1220377506.db2.gz JUQYROKEXQKRMT-CHWSQXEVSA-N 1 2 365.438 0.230 20 5 FCBDLO CCOc1cc(N2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)ccc1[N+](=O)[O-] ZINC000799170042 1221303842 /nfs/dbraw/zinc/30/38/42/1221303842.db2.gz SFVLTWPDYNLNHM-AWEZNQCLSA-N 1 2 362.386 0.921 20 5 FCBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001117118074 1221470383 /nfs/dbraw/zinc/47/03/83/1221470383.db2.gz DSRUAYMGLPPYML-CYBMUJFWSA-N 1 2 357.370 0.581 20 5 FCBDLO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CN(C)CC[N@@H+]1C ZINC001120959480 1222133408 /nfs/dbraw/zinc/13/34/08/1222133408.db2.gz JPQLKUYSIIHWAA-BDJLRTHQSA-N 1 2 362.434 0.831 20 5 FCBDLO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CN(C)CC[N@H+]1C ZINC001120959480 1222133412 /nfs/dbraw/zinc/13/34/12/1222133412.db2.gz JPQLKUYSIIHWAA-BDJLRTHQSA-N 1 2 362.434 0.831 20 5 FCBDLO C[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCOC1)[N+](=O)[O-] ZINC001123218367 1222324958 /nfs/dbraw/zinc/32/49/58/1222324958.db2.gz DPRFTHHFAIEYIJ-KGLIPLIRSA-N 1 2 368.438 0.421 20 5 FCBDLO CCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589243 1247906359 /nfs/dbraw/zinc/90/63/59/1247906359.db2.gz NOXDAROLQCXHNG-XJFOESAGSA-N 1 2 363.418 0.968 20 5 FCBDLO CCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)no1 ZINC000946589243 1247906366 /nfs/dbraw/zinc/90/63/66/1247906366.db2.gz NOXDAROLQCXHNG-XJFOESAGSA-N 1 2 363.418 0.968 20 5 FCBDLO O=C(NC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788131 1252672644 /nfs/dbraw/zinc/67/26/44/1252672644.db2.gz NQSAIOCNMCUJFX-ZIAGYGMSSA-N 1 2 361.402 0.805 20 5 FCBDLO CC1CCN(C(=O)C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001005378635 1253538286 /nfs/dbraw/zinc/53/82/86/1253538286.db2.gz NWONVAIOSCFWEQ-HZPDHXFCSA-N 1 2 366.462 0.833 20 5 FCBDLO Cn1cc(-c2cc(C[NH+]3CC(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)on2)cn1 ZINC001031662905 1253880787 /nfs/dbraw/zinc/88/07/87/1253880787.db2.gz OPMLHKJGOZMLLN-UKRRQHHQSA-N 1 2 360.374 0.288 20 5 FCBDLO CCn1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)n1 ZINC001034817026 1254004104 /nfs/dbraw/zinc/00/41/04/1254004104.db2.gz YGUYQILETJHXCL-HZPDHXFCSA-N 1 2 358.402 0.869 20 5 FCBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001329685053 1265814487 /nfs/dbraw/zinc/81/44/87/1265814487.db2.gz UWQDKOQLMIPOGQ-AWEZNQCLSA-N 1 2 371.397 0.923 20 5 FCBDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730501 1254134101 /nfs/dbraw/zinc/13/41/01/1254134101.db2.gz OGVPQYBFLCDGTD-RGCMKSIDSA-N 1 2 363.418 0.717 20 5 FCBDLO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001308017726 1263207022 /nfs/dbraw/zinc/20/70/22/1263207022.db2.gz ZRJHIMNIQZQOCN-KRWDZBQOSA-N 1 2 361.402 0.676 20 5 FCBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC001321314796 1263933561 /nfs/dbraw/zinc/93/35/61/1263933561.db2.gz XCKOJVWZXFMCKB-UHFFFAOYSA-N 1 2 359.386 0.999 20 5 FCBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001326308476 1265095183 /nfs/dbraw/zinc/09/51/83/1265095183.db2.gz CDJRADGLIZTHRG-AWEZNQCLSA-N 1 2 374.357 0.153 20 5 FCBDLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001327436350 1265321566 /nfs/dbraw/zinc/32/15/66/1265321566.db2.gz KYPXSXAVZXTBNY-UHFFFAOYSA-N 1 2 364.402 0.392 20 5 FCBDLO CN(CC[NH+]1CCOCC1)c1nnc(C[N+](=O)[O-])n1Cc1ccccc1 ZINC001344024938 1270078016 /nfs/dbraw/zinc/07/80/16/1270078016.db2.gz RRUCXMGRDLCBHR-UHFFFAOYSA-N 1 2 360.418 0.872 20 5 FCBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001344962683 1270285492 /nfs/dbraw/zinc/28/54/92/1270285492.db2.gz NDTBZPUYSNDHJB-ZDUSSCGKSA-N 1 2 357.370 0.961 20 5 FCBDLO C[C@@H]1C[N@H+](CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)[C@@H](C)CO1 ZINC001590304006 1283443223 /nfs/dbraw/zinc/44/32/23/1283443223.db2.gz KYWTXPRCQVQEOF-VHSXEESVSA-N 1 2 362.394 0.878 20 5 FCBDLO C[C@@H]1C[N@@H+](CCNc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)[C@@H](C)CO1 ZINC001590304006 1283443225 /nfs/dbraw/zinc/44/32/25/1283443225.db2.gz KYWTXPRCQVQEOF-VHSXEESVSA-N 1 2 362.394 0.878 20 5 FCBDLO CN(CCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC001591104220 1284178120 /nfs/dbraw/zinc/17/81/20/1284178120.db2.gz WOXRYPUXERJJLJ-UHFFFAOYSA-N 1 2 371.361 0.542 20 5 FCBDLO CNC(=O)C[NH+]1CCC(Nc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 ZINC001591208972 1284337786 /nfs/dbraw/zinc/33/77/86/1284337786.db2.gz QMKRPICGSSBEAO-UHFFFAOYSA-N 1 2 366.407 0.459 20 5 FCBDLO O=C(Cc1c[nH]c[nH+]1)NCCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001592928698 1285817659 /nfs/dbraw/zinc/81/76/59/1285817659.db2.gz WABQLXVENKKYCM-UHFFFAOYSA-N 1 2 371.361 0.659 20 5 FCBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001593468561 1286172612 /nfs/dbraw/zinc/17/26/12/1286172612.db2.gz OIJPNCZBOCKOCL-JTQLQIEISA-N 1 2 363.353 0.825 20 5 FCBDLO O=[N+]([O-])c1c(-c2nn[nH]n2)cccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001593467135 1286173068 /nfs/dbraw/zinc/17/30/68/1286173068.db2.gz TYAVEDVNFMECHQ-UHFFFAOYSA-N 1 2 355.362 0.820 20 5 FCBDLO CC(=O)NCC[NH+]1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001602947587 1287168985 /nfs/dbraw/zinc/16/89/85/1287168985.db2.gz OLTIMVNUUAIJIS-UHFFFAOYSA-N 1 2 360.378 0.033 20 5 FCBDLO COCC[NH+]1CCN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001605105740 1287882807 /nfs/dbraw/zinc/88/28/07/1287882807.db2.gz BYNZHBSOJVTQKM-UHFFFAOYSA-N 1 2 351.342 0.682 20 5 FCBDLO Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)oc1C ZINC001699883016 1289570753 /nfs/dbraw/zinc/57/07/53/1289570753.db2.gz NKTGCDAKHNHOSL-CHWSQXEVSA-N 1 2 352.391 0.712 20 5 FCBDLO COc1ccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001690940227 1294892298 /nfs/dbraw/zinc/89/22/98/1294892298.db2.gz SPSLELHRGHOZTF-ZIAGYGMSSA-N 1 2 350.375 0.347 20 5 FCBDLO COc1ccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001690940227 1294892312 /nfs/dbraw/zinc/89/23/12/1294892312.db2.gz SPSLELHRGHOZTF-ZIAGYGMSSA-N 1 2 350.375 0.347 20 5 FCBDLO