smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001162399694 939045378 /nfs/dbraw/zinc/04/53/78/939045378.db2.gz CRQYLNIVGHCXKJ-VXGBXAGGSA-N 1 3 276.340 1.880 20 5 CDBDHO O=[N+]([O-])c1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000591281928 342624362 /nfs/dbraw/zinc/62/43/62/342624362.db2.gz WVJFNQAAUAOAOX-CYBMUJFWSA-N 1 3 261.325 1.827 20 5 CDBDHO Cc1ccc(CNCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000226744533 140181284 /nfs/dbraw/zinc/18/12/84/140181284.db2.gz FUAPVGNTCBMAGN-UHFFFAOYSA-N 1 3 281.356 1.571 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000423327135 278298607 /nfs/dbraw/zinc/29/86/07/278298607.db2.gz CXHVDFYHJZCUMO-RYUDHWBXSA-N 1 3 263.341 1.725 20 5 CDBDHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCC[N+](=O)[O-])C1 ZINC000905045924 626384559 /nfs/dbraw/zinc/38/45/59/626384559.db2.gz NDCBTAVKZPIHPO-BETUJISGSA-N 1 3 257.378 1.611 20 5 CDBDHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCC[N+](=O)[O-])C1 ZINC000905045924 626384561 /nfs/dbraw/zinc/38/45/61/626384561.db2.gz NDCBTAVKZPIHPO-BETUJISGSA-N 1 3 257.378 1.611 20 5 CDBDHO C[N+](C)(C)CCO[C@@H]1CCN(Cc2ccccc2)C1 ZINC001224771299 941789849 /nfs/dbraw/zinc/78/98/49/941789849.db2.gz IVODJIMJWAMUNW-MRXNPFEDSA-N 1 3 263.405 1.984 20 5 CDBDHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011799 374366017 /nfs/dbraw/zinc/36/60/17/374366017.db2.gz JJQMYKORAGYLRY-TZMCWYRMSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@H]1CCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011799 374366028 /nfs/dbraw/zinc/36/60/28/374366028.db2.gz JJQMYKORAGYLRY-TZMCWYRMSA-N 1 3 263.341 1.854 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+](C)C ZINC000453098624 252268927 /nfs/dbraw/zinc/26/89/27/252268927.db2.gz JQSQEHCICIHLGB-AAEUAGOBSA-N 1 3 281.356 1.038 20 5 CDBDHO Cc1c([C@H](C)NCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423207112 397603032 /nfs/dbraw/zinc/60/30/32/397603032.db2.gz RACFTTPEWXVOCL-ZDUSSCGKSA-N 1 3 292.383 1.459 20 5 CDBDHO CN(C1CC1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039925 927653848 /nfs/dbraw/zinc/65/38/48/927653848.db2.gz VVMHGVXYAOJIML-WFASDCNBSA-N 1 3 281.400 1.990 20 5 CDBDHO CC1(C)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N ZINC000603430544 344802997 /nfs/dbraw/zinc/80/29/97/344802997.db2.gz ADZZMXGRHPYLIQ-QWHCGFSZSA-N 1 3 279.340 1.689 20 5 CDBDHO [NH3+][C@@H]1CCC[C@H](NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000582431263 364088145 /nfs/dbraw/zinc/08/81/45/364088145.db2.gz YPNQXOUJICUBRS-OLZOCXBDSA-N 1 3 263.341 1.997 20 5 CDBDHO O=[N+]([O-])c1cnc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC000455661503 285184281 /nfs/dbraw/zinc/18/42/81/285184281.db2.gz QJAFPNQZPMVULF-UHFFFAOYSA-N 1 3 276.340 1.348 20 5 CDBDHO C[NH2+]CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430921553 390942494 /nfs/dbraw/zinc/94/24/94/390942494.db2.gz YPECBYCXCZYARQ-UHFFFAOYSA-N 1 3 293.367 1.905 20 5 CDBDHO [NH3+]CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430612091 393102260 /nfs/dbraw/zinc/10/22/60/393102260.db2.gz QRJPVUSXMHEFPU-UHFFFAOYSA-N 1 3 279.340 1.644 20 5 CDBDHO C[N@H+](C[C@@H](O)CNCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148991 317085694 /nfs/dbraw/zinc/08/56/94/317085694.db2.gz CZZYKDDSSXFNFC-HNNXBMFYSA-N 1 3 293.367 1.182 20 5 CDBDHO C[N@@H+](C[C@@H](O)CNCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148991 317085695 /nfs/dbraw/zinc/08/56/95/317085695.db2.gz CZZYKDDSSXFNFC-HNNXBMFYSA-N 1 3 293.367 1.182 20 5 CDBDHO C[NH+](C)CCCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035695 927643774 /nfs/dbraw/zinc/64/37/74/927643774.db2.gz LDIFLDUTIWLBMT-LSDHHAIUSA-N 1 3 298.431 1.001 20 5 CDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(C[NH3+])CC1 ZINC000420400213 244202494 /nfs/dbraw/zinc/20/24/94/244202494.db2.gz DHWFIYFJXFUSDP-GFCCVEGCSA-N 1 3 293.367 1.750 20 5 CDBDHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422783324 245250989 /nfs/dbraw/zinc/25/09/89/245250989.db2.gz HGHOMDQMRHVUDB-OLZOCXBDSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422783324 245250991 /nfs/dbraw/zinc/25/09/91/245250991.db2.gz HGHOMDQMRHVUDB-OLZOCXBDSA-N 1 3 263.341 1.854 20 5 CDBDHO C[C@H]1C[C@H](C[NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576367 375290482 /nfs/dbraw/zinc/29/04/82/375290482.db2.gz PXTJVIOTSMQCNR-WCQYABFASA-N 1 3 263.341 1.806 20 5 CDBDHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000603435232 375565748 /nfs/dbraw/zinc/56/57/48/375565748.db2.gz WEEWHRHSCZILEM-CHWSQXEVSA-N 1 3 279.340 1.689 20 5 CDBDHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423299612 289539049 /nfs/dbraw/zinc/53/90/49/289539049.db2.gz CCAVSTLYSDQBSB-GRYCIOLGSA-N 1 3 281.360 1.459 20 5 CDBDHO C[NH2+]CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923289897 723430583 /nfs/dbraw/zinc/43/05/83/723430583.db2.gz JUMATAYRZJIVJI-OAHLLOKOSA-N 1 3 293.367 1.560 20 5 CDBDHO CN1CC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169039486 927651614 /nfs/dbraw/zinc/65/16/14/927651614.db2.gz QAWHHOJHSZHWRY-STQMWFEESA-N 1 3 267.373 1.459 20 5 CDBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840112 930973860 /nfs/dbraw/zinc/97/38/60/930973860.db2.gz TUFAYZLQDNXCHB-STQMWFEESA-N 1 3 290.367 1.811 20 5 CDBDHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422736480 245194232 /nfs/dbraw/zinc/19/42/32/245194232.db2.gz GFSQZUGYQYYHHV-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422736480 245194238 /nfs/dbraw/zinc/19/42/38/245194238.db2.gz GFSQZUGYQYYHHV-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357079982 375883971 /nfs/dbraw/zinc/88/39/71/375883971.db2.gz DUKXQSUZPUMUKN-CYBMUJFWSA-N 1 3 293.371 1.113 20 5 CDBDHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620788 317368600 /nfs/dbraw/zinc/36/86/00/317368600.db2.gz QZKONNVUTGJEAE-STQMWFEESA-N 1 3 265.313 1.443 20 5 CDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168988943 927626434 /nfs/dbraw/zinc/62/64/34/927626434.db2.gz VGNGQKCSHIKWCZ-XDQVBPFNSA-N 1 3 269.389 1.894 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000566481109 360452221 /nfs/dbraw/zinc/45/22/21/360452221.db2.gz FMWPMCBVGIMFDG-QWHCGFSZSA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000566481109 360452226 /nfs/dbraw/zinc/45/22/26/360452226.db2.gz FMWPMCBVGIMFDG-QWHCGFSZSA-N 1 3 263.341 1.997 20 5 CDBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000367604538 364001207 /nfs/dbraw/zinc/00/12/07/364001207.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 1 3 293.371 1.348 20 5 CDBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000367604538 364001209 /nfs/dbraw/zinc/00/12/09/364001209.db2.gz UOWJPOUUEFHNIK-FUNVUKJBSA-N 1 3 293.371 1.348 20 5 CDBDHO C[NH2+]CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430920530 390942364 /nfs/dbraw/zinc/94/23/64/390942364.db2.gz VKFITTRBUPHROW-UHFFFAOYSA-N 1 3 293.367 1.905 20 5 CDBDHO C[NH+](C)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357949344 524049535 /nfs/dbraw/zinc/04/95/35/524049535.db2.gz VORYQAOMDAJHPC-UHFFFAOYSA-N 1 3 281.360 1.065 20 5 CDBDHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222650 912308194 /nfs/dbraw/zinc/30/81/94/912308194.db2.gz YLLUFOQZAGOSFV-GHMZBOCLSA-N 1 3 251.330 1.710 20 5 CDBDHO NC1CC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902973 912038430 /nfs/dbraw/zinc/03/84/30/912038430.db2.gz NXSHPPLPWIHJMX-MOKVOYLWSA-N 1 3 275.352 1.922 20 5 CDBDHO O=[N+]([O-])c1ccc(CN[C@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000591281652 342624323 /nfs/dbraw/zinc/62/43/23/342624323.db2.gz IJEXPJHMGNVNDS-ZDUSSCGKSA-N 1 3 279.315 1.966 20 5 CDBDHO [NH3+]C[C@@H](NCCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000420381183 244177108 /nfs/dbraw/zinc/17/71/08/244177108.db2.gz YZKKYNBEBCBGST-GFCCVEGCSA-N 1 3 281.360 1.289 20 5 CDBDHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580371921 1172416910 /nfs/dbraw/zinc/41/69/10/1172416910.db2.gz BSNIIJCWPWDBAT-MGPQQGTHSA-N 1 3 279.340 1.488 20 5 CDBDHO C[NH+](C)CCCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169035693 927643422 /nfs/dbraw/zinc/64/34/22/927643422.db2.gz LDIFLDUTIWLBMT-GJZGRUSLSA-N 1 3 298.431 1.001 20 5 CDBDHO CN1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762543 960556543 /nfs/dbraw/zinc/55/65/43/960556543.db2.gz CSYASJNPVMCGHG-RISCZKNCSA-N 1 3 279.340 1.170 20 5 CDBDHO C[NH+](C)CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174867862 364586359 /nfs/dbraw/zinc/58/63/59/364586359.db2.gz OALZEIRFHICZNE-UHFFFAOYSA-N 1 3 295.387 1.455 20 5 CDBDHO CC(C)([NH3+])CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282971 374375877 /nfs/dbraw/zinc/37/58/77/374375877.db2.gz DQCARVNFSBOIIR-WDEREUQCSA-N 1 3 281.360 1.602 20 5 CDBDHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826539 293424700 /nfs/dbraw/zinc/42/47/00/293424700.db2.gz SCEBHRXWHMWSLE-WFASDCNBSA-N 1 3 293.367 1.951 20 5 CDBDHO CC(COC(=O)C12CCC[NH+](CCC1)C2)[N+](=O)[O-] ZINC000893045589 618093636 /nfs/dbraw/zinc/09/36/36/618093636.db2.gz YHIVNDYFGORKPY-JTQLQIEISA-N 1 3 256.302 1.071 20 5 CDBDHO [NH3+][C@H]1CCc2nn(-c3cc4c(cc3[N+](=O)[O-])CNC4)cc2C1 ZINC001168818825 927491003 /nfs/dbraw/zinc/49/10/03/927491003.db2.gz AGKPZSUCZCQKRN-LBPRGKRZSA-N 1 3 299.334 1.200 20 5 CDBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001169008218 927613422 /nfs/dbraw/zinc/61/34/22/927613422.db2.gz SCQUZCYCXIWIDL-ZFWWWQNUSA-N 1 3 290.367 1.649 20 5 CDBDHO CN1CC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019059 927660483 /nfs/dbraw/zinc/66/04/83/927660483.db2.gz GNQJTLZKSCWAPS-MQYQWHSLSA-N 1 3 267.373 1.315 20 5 CDBDHO CN1CC[C@@H]2C[N@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019059 927660491 /nfs/dbraw/zinc/66/04/91/927660491.db2.gz GNQJTLZKSCWAPS-MQYQWHSLSA-N 1 3 267.373 1.315 20 5 CDBDHO CN(CCOCC[NH3+])CCc1ccccc1[N+](=O)[O-] ZINC000420382112 244179431 /nfs/dbraw/zinc/17/94/31/244179431.db2.gz YFWPRIDDTOZLDS-UHFFFAOYSA-N 1 3 267.329 1.044 20 5 CDBDHO CCN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[NH2+]CC1 ZINC000435616536 248177360 /nfs/dbraw/zinc/17/73/60/248177360.db2.gz KUTHKQFVNSAPMB-LBPRGKRZSA-N 1 3 281.360 1.255 20 5 CDBDHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCC[N+](=O)[O-])C1 ZINC000905045925 626384220 /nfs/dbraw/zinc/38/42/20/626384220.db2.gz NDCBTAVKZPIHPO-CHWSQXEVSA-N 1 3 257.378 1.611 20 5 CDBDHO C[C@@H]([NH3+])CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170890534 1164191036 /nfs/dbraw/zinc/19/10/36/1164191036.db2.gz BOBBFPRCNLBCND-MRVPVSSYSA-N 1 3 250.302 1.347 20 5 CDBDHO Cc1c(CNCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000234256992 735389388 /nfs/dbraw/zinc/38/93/88/735389388.db2.gz JLVUTHJLAWVDBY-UHFFFAOYSA-N 1 3 281.356 1.571 20 5 CDBDHO [NH3+][C@@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001162399691 939045512 /nfs/dbraw/zinc/04/55/12/939045512.db2.gz CRQYLNIVGHCXKJ-NEPJUHHUSA-N 1 3 276.340 1.880 20 5 CDBDHO C[C@@H]1CC[C@H](CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106477 947957553 /nfs/dbraw/zinc/95/75/53/947957553.db2.gz QCYJPAKSNRCRQV-FDYHWXHSSA-N 1 3 255.362 1.410 20 5 CDBDHO C[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C[NH3+] ZINC001246543024 948244148 /nfs/dbraw/zinc/24/41/48/948244148.db2.gz RHLCTLFLGLHDER-PSOPSSQASA-N 1 3 275.352 1.589 20 5 CDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000602778734 344594752 /nfs/dbraw/zinc/59/47/52/344594752.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 1 3 295.387 1.373 20 5 CDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000602778734 344594755 /nfs/dbraw/zinc/59/47/55/344594755.db2.gz LAHIDWRAHIMWGJ-CYBMUJFWSA-N 1 3 295.387 1.373 20 5 CDBDHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000566481108 357842447 /nfs/dbraw/zinc/84/24/47/357842447.db2.gz FMWPMCBVGIMFDG-OLZOCXBDSA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000566481108 357842448 /nfs/dbraw/zinc/84/24/48/357842448.db2.gz FMWPMCBVGIMFDG-OLZOCXBDSA-N 1 3 263.341 1.997 20 5 CDBDHO Cc1ccc(CNCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414778273 241382855 /nfs/dbraw/zinc/38/28/55/241382855.db2.gz HVMNKGVWRCKZEH-UHFFFAOYSA-N 1 3 292.383 1.288 20 5 CDBDHO NC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342104104 130262609 /nfs/dbraw/zinc/26/26/09/130262609.db2.gz NFHOUCMPXIACCK-UHFFFAOYSA-N 1 3 265.313 1.445 20 5 CDBDHO [NH3+][C@H](CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319651 392960631 /nfs/dbraw/zinc/96/06/31/392960631.db2.gz LUFYKNIKHKWHLH-FRRDWIJNSA-N 1 3 293.371 1.602 20 5 CDBDHO C[C@H](NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000219305034 140166074 /nfs/dbraw/zinc/16/60/74/140166074.db2.gz ZZHPWANHOMZFRG-LBPRGKRZSA-N 1 3 281.356 1.824 20 5 CDBDHO CN1CCC[C@H](C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176246534 148032377 /nfs/dbraw/zinc/03/23/77/148032377.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 1 3 281.360 1.065 20 5 CDBDHO CN1CCC[C@H](C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176246534 148032383 /nfs/dbraw/zinc/03/23/83/148032383.db2.gz QQQUHSRCULOJKQ-LBPRGKRZSA-N 1 3 281.360 1.065 20 5 CDBDHO CN1CC(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001170255083 1162327331 /nfs/dbraw/zinc/32/73/31/1162327331.db2.gz YFUKHWNFUSILMQ-UHFFFAOYSA-N 1 3 262.313 1.172 20 5 CDBDHO CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001167278935 895036161 /nfs/dbraw/zinc/03/61/61/895036161.db2.gz ZCLOLTPAZQIUHE-NSHDSACASA-N 1 3 262.313 1.314 20 5 CDBDHO C[NH2+][C@H](C)CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC001345484641 964721828 /nfs/dbraw/zinc/72/18/28/964721828.db2.gz YPOYKWNNESZHKE-AGIUHOORSA-N 1 3 295.387 1.863 20 5 CDBDHO C[C@@H](C[NH3+])N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375663 374379518 /nfs/dbraw/zinc/37/95/18/374379518.db2.gz UPIJGKQEYAGNMB-GWCFXTLKSA-N 1 3 263.341 1.853 20 5 CDBDHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430967775 393107965 /nfs/dbraw/zinc/10/79/65/393107965.db2.gz UQTHKUNOJZCGHF-NSHDSACASA-N 1 3 292.339 1.204 20 5 CDBDHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000089150299 741890847 /nfs/dbraw/zinc/89/08/47/741890847.db2.gz YNKMARLOYQSVOY-GXTWGEPZSA-N 1 3 263.341 1.854 20 5 CDBDHO CC(=O)O[C@H]1C[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@H]1N2C ZINC001224621029 941777038 /nfs/dbraw/zinc/77/70/38/941777038.db2.gz INCYMQKYQXYMET-JONQDZQNSA-N 1 3 299.435 1.266 20 5 CDBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC001578469229 1171928426 /nfs/dbraw/zinc/92/84/26/1171928426.db2.gz MBEUYNZKBIESJD-UHFFFAOYSA-N 1 3 279.340 1.785 20 5 CDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261783232 140389157 /nfs/dbraw/zinc/38/91/57/140389157.db2.gz PVDCFLRLJCWKJO-NWANDNLSSA-N 1 3 275.352 1.806 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCCNC1)C2 ZINC001246089414 947939141 /nfs/dbraw/zinc/93/91/41/947939141.db2.gz DWKWAIGAGCZCRJ-UONOGXRCSA-N 1 3 275.352 1.794 20 5 CDBDHO NC1(C[NH2+]CCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000342125342 130283079 /nfs/dbraw/zinc/28/30/79/130283079.db2.gz DNXDYGSMGFLTBR-UHFFFAOYSA-N 1 3 265.313 1.445 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CC1 ZINC000423286173 392961272 /nfs/dbraw/zinc/96/12/72/392961272.db2.gz ZTSJUMKNSHMAGU-GWCFXTLKSA-N 1 3 263.341 1.853 20 5 CDBDHO [NH3+]CCCN(CCn1ccc([N+](=O)[O-])n1)CC1CCCC1 ZINC000352507806 303377949 /nfs/dbraw/zinc/37/79/49/303377949.db2.gz DEEWVSLBBFXTFG-UHFFFAOYSA-N 1 3 295.387 1.632 20 5 CDBDHO NCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCC1 ZINC000352507806 303377951 /nfs/dbraw/zinc/37/79/51/303377951.db2.gz DEEWVSLBBFXTFG-UHFFFAOYSA-N 1 3 295.387 1.632 20 5 CDBDHO NCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCC1 ZINC000352507806 303377953 /nfs/dbraw/zinc/37/79/53/303377953.db2.gz DEEWVSLBBFXTFG-UHFFFAOYSA-N 1 3 295.387 1.632 20 5 CDBDHO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000312500734 1186699227 /nfs/dbraw/zinc/69/92/27/1186699227.db2.gz LOUNMXVSAFDMDX-RISCZKNCSA-N 1 3 281.356 1.416 20 5 CDBDHO Cc1cc(CN)nn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163985661 939372649 /nfs/dbraw/zinc/37/26/49/939372649.db2.gz YICCQZJVDKLJIE-UHFFFAOYSA-N 1 3 273.296 1.151 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246199521 948024072 /nfs/dbraw/zinc/02/40/72/948024072.db2.gz MGCZZAOVHCJSCD-SMDDNHRTSA-N 1 3 275.352 1.651 20 5 CDBDHO CN(C/C=C\c1ccccc1[N+](=O)[O-])CCOCC[NH3+] ZINC000600771701 342248860 /nfs/dbraw/zinc/24/88/60/342248860.db2.gz AFZKNPFGYQIAND-XQRVVYSFSA-N 1 3 279.340 1.515 20 5 CDBDHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000603435285 344808798 /nfs/dbraw/zinc/80/87/98/344808798.db2.gz XIHCSWHEDWPNQK-STQMWFEESA-N 1 3 279.340 1.689 20 5 CDBDHO Cc1ccc([C@@H](C)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420408101 244208464 /nfs/dbraw/zinc/20/84/64/244208464.db2.gz OXEBGYHBFYZBHA-CYBMUJFWSA-N 1 3 292.383 1.459 20 5 CDBDHO C[NH+](C)CCOCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577413324 317328865 /nfs/dbraw/zinc/32/88/65/317328865.db2.gz VXIZZSWUNGFSEW-CQSZACIVSA-N 1 3 293.367 1.750 20 5 CDBDHO [NH3+]CC1(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900361 912039490 /nfs/dbraw/zinc/03/94/90/912039490.db2.gz CXCZMHMIJGNSKA-ZDUSSCGKSA-N 1 3 275.352 1.923 20 5 CDBDHO CCN(CC)CCNC(=[NH2+])Nc1cc([N+](=O)[O-])ccn1 ZINC001163122541 939205460 /nfs/dbraw/zinc/20/54/60/939205460.db2.gz NJUCHPSBWRYHJJ-UHFFFAOYSA-N 1 3 280.332 1.268 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246199520 948025495 /nfs/dbraw/zinc/02/54/95/948025495.db2.gz MGCZZAOVHCJSCD-RISCZKNCSA-N 1 3 275.352 1.651 20 5 CDBDHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246582483 948312873 /nfs/dbraw/zinc/31/28/73/948312873.db2.gz MYNAPNRARFMTSZ-FRRDWIJNSA-N 1 3 255.362 1.493 20 5 CDBDHO NC[C@@H]1CCCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246582483 948312881 /nfs/dbraw/zinc/31/28/81/948312881.db2.gz MYNAPNRARFMTSZ-FRRDWIJNSA-N 1 3 255.362 1.493 20 5 CDBDHO [NH3+]CC1(F)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246625974 948363617 /nfs/dbraw/zinc/36/36/17/948363617.db2.gz IRMRRGTYXDWCDL-AWEZNQCLSA-N 1 3 293.342 1.825 20 5 CDBDHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420353768 244130622 /nfs/dbraw/zinc/13/06/22/244130622.db2.gz CAHLLIAWCFPKDG-CQSZACIVSA-N 1 3 293.367 1.951 20 5 CDBDHO CC1(C)CNCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420355384 244132758 /nfs/dbraw/zinc/13/27/58/244132758.db2.gz DUVOISFXLDULGP-CQSZACIVSA-N 1 3 293.367 1.951 20 5 CDBDHO CC(C)N(CCOCC[NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000357094351 375884173 /nfs/dbraw/zinc/88/41/73/375884173.db2.gz ZKBGIJQFOAARRG-UHFFFAOYSA-N 1 3 281.356 1.781 20 5 CDBDHO CN1CCC[C@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857975 /nfs/dbraw/zinc/85/79/75/523857975.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 1 3 293.371 1.209 20 5 CDBDHO CN1CCC[C@]2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433708 523857980 /nfs/dbraw/zinc/85/79/80/523857980.db2.gz XHMMKNUWTPAYNT-AWEZNQCLSA-N 1 3 293.371 1.209 20 5 CDBDHO C[C@H]1C[C@H](C)C[NH+](CCCCNCC[N+](=O)[O-])C1 ZINC000905045926 626384121 /nfs/dbraw/zinc/38/41/21/626384121.db2.gz NDCBTAVKZPIHPO-STQMWFEESA-N 1 3 257.378 1.611 20 5 CDBDHO CC(C)N1CCN(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168979720 927567751 /nfs/dbraw/zinc/56/77/51/927567751.db2.gz ZQYUSEGZBRKPDU-HUUCEWRRSA-N 1 3 298.431 1.047 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246199518 948023978 /nfs/dbraw/zinc/02/39/78/948023978.db2.gz MGCZZAOVHCJSCD-BXUZGUMPSA-N 1 3 275.352 1.651 20 5 CDBDHO CN(C/C=C/c1ccccc1[N+](=O)[O-])CCOCC[NH3+] ZINC000600771700 342248921 /nfs/dbraw/zinc/24/89/21/342248921.db2.gz AFZKNPFGYQIAND-GQCTYLIASA-N 1 3 279.340 1.515 20 5 CDBDHO COCC1(CNCc2csc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414978932 371199002 /nfs/dbraw/zinc/19/90/02/371199002.db2.gz UFIIEJGGKRIBMX-UHFFFAOYSA-N 1 3 299.396 1.762 20 5 CDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCNCC2)n1 ZINC000423184668 285168459 /nfs/dbraw/zinc/16/84/59/285168459.db2.gz MQXIRWSDRLNLBJ-CHWSQXEVSA-N 1 3 293.371 1.617 20 5 CDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NC2CC[NH2+]CC2)n1 ZINC000423184668 285168461 /nfs/dbraw/zinc/16/84/61/285168461.db2.gz MQXIRWSDRLNLBJ-CHWSQXEVSA-N 1 3 293.371 1.617 20 5 CDBDHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338216 392963118 /nfs/dbraw/zinc/96/31/18/392963118.db2.gz VTXOSEUXWOOCDY-VXGBXAGGSA-N 1 3 293.371 1.746 20 5 CDBDHO C[C@@H]1C[NH2+]C[C@H](CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246097194 947949328 /nfs/dbraw/zinc/94/93/28/947949328.db2.gz GRSJENQBXDZIGP-ZOWXZIJZSA-N 1 3 289.379 1.897 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCCO1 ZINC000423496016 374386346 /nfs/dbraw/zinc/38/63/46/374386346.db2.gz VUSKVEXTIBPPNF-GXTWGEPZSA-N 1 3 293.367 1.494 20 5 CDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000261783231 140389034 /nfs/dbraw/zinc/38/90/34/140389034.db2.gz PVDCFLRLJCWKJO-BPLDGKMQSA-N 1 3 275.352 1.806 20 5 CDBDHO C[NH+](C)CCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000577413320 317328473 /nfs/dbraw/zinc/32/84/73/317328473.db2.gz VXIZZSWUNGFSEW-AWEZNQCLSA-N 1 3 293.367 1.750 20 5 CDBDHO COc1ccc(C[C@H](C)NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170317943 1162335566 /nfs/dbraw/zinc/33/55/66/1162335566.db2.gz MSYHQLNVQCYLBR-MNOVXSKESA-N 1 3 281.356 1.719 20 5 CDBDHO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN)c([N+](=O)[O-])c1 ZINC001170317943 1162335568 /nfs/dbraw/zinc/33/55/68/1162335568.db2.gz MSYHQLNVQCYLBR-MNOVXSKESA-N 1 3 281.356 1.719 20 5 CDBDHO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC001120488456 937802908 /nfs/dbraw/zinc/80/29/08/937802908.db2.gz BLHNWOZNLFEMOY-RISCZKNCSA-N 1 3 281.356 1.416 20 5 CDBDHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000252728171 392680724 /nfs/dbraw/zinc/68/07/24/392680724.db2.gz AEIMTPRJZZFPLZ-IUODEOHRSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000252728171 392680727 /nfs/dbraw/zinc/68/07/27/392680727.db2.gz AEIMTPRJZZFPLZ-IUODEOHRSA-N 1 3 293.367 1.903 20 5 CDBDHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169049011 927666547 /nfs/dbraw/zinc/66/65/47/927666547.db2.gz VRCFSHSXROKAKY-GBJTYRQASA-N 1 3 281.400 1.705 20 5 CDBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCNCC1 ZINC001246073400 930903103 /nfs/dbraw/zinc/90/31/03/930903103.db2.gz UUSMTXRRFADFOT-NSHDSACASA-N 1 3 263.341 1.867 20 5 CDBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC001246073400 930903108 /nfs/dbraw/zinc/90/31/08/930903108.db2.gz UUSMTXRRFADFOT-NSHDSACASA-N 1 3 263.341 1.867 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000423327136 392961752 /nfs/dbraw/zinc/96/17/52/392961752.db2.gz CXHVDFYHJZCUMO-VXGBXAGGSA-N 1 3 263.341 1.725 20 5 CDBDHO CC[C@H](NCCOCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420404152 535904096 /nfs/dbraw/zinc/90/40/96/535904096.db2.gz LSCGNZMKZGBIHA-ZDUSSCGKSA-N 1 3 267.329 1.611 20 5 CDBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H](C)C[NH3+])c1F ZINC001173184909 912281356 /nfs/dbraw/zinc/28/13/56/912281356.db2.gz SMGPJPFXDBBFTD-UWVGGRQHSA-N 1 3 299.346 1.858 20 5 CDBDHO CN(CCC[NH3+])CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843351495 937141013 /nfs/dbraw/zinc/14/10/13/937141013.db2.gz YAJXZSAOFKISTI-UHFFFAOYSA-N 1 3 298.318 1.343 20 5 CDBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001169052549 927670133 /nfs/dbraw/zinc/67/01/33/927670133.db2.gz HEJGJPQYISKVFO-GXTWGEPZSA-N 1 3 267.373 1.602 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1CC[NH2+]CC1)C2 ZINC001246079554 947931152 /nfs/dbraw/zinc/93/11/52/947931152.db2.gz QCRQCKVKJRVOSD-ZDUSSCGKSA-N 1 3 261.325 1.404 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246079554 947931157 /nfs/dbraw/zinc/93/11/57/947931157.db2.gz QCRQCKVKJRVOSD-ZDUSSCGKSA-N 1 3 261.325 1.404 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246613380 948346446 /nfs/dbraw/zinc/34/64/46/948346446.db2.gz YUPLQXTWMPYNLY-HZSPNIEDSA-N 1 3 267.373 1.650 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246613380 948346454 /nfs/dbraw/zinc/34/64/54/948346454.db2.gz YUPLQXTWMPYNLY-HZSPNIEDSA-N 1 3 267.373 1.650 20 5 CDBDHO COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281870 342624282 /nfs/dbraw/zinc/62/42/82/342624282.db2.gz QLMCZOTZVBNKLB-AWEZNQCLSA-N 1 3 291.351 1.835 20 5 CDBDHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000430573845 393101141 /nfs/dbraw/zinc/10/11/41/393101141.db2.gz MWCVNLYSSMBOLS-CQSZACIVSA-N 1 3 281.356 1.937 20 5 CDBDHO [NH3+]CCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923386227 789985440 /nfs/dbraw/zinc/98/54/40/789985440.db2.gz IBORBPOHYLNBIY-HNNXBMFYSA-N 1 3 293.367 1.689 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001169008217 927614483 /nfs/dbraw/zinc/61/44/83/927614483.db2.gz SCQUZCYCXIWIDL-UKRRQHHQSA-N 1 3 290.367 1.649 20 5 CDBDHO [NH3+]C[C@@H](NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000420355218 244132976 /nfs/dbraw/zinc/13/29/76/244132976.db2.gz BWLFTOWZSBXOAC-CYBMUJFWSA-N 1 3 281.360 1.289 20 5 CDBDHO CN1C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193628655 375881738 /nfs/dbraw/zinc/88/17/38/375881738.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 1 3 275.352 1.631 20 5 CDBDHO CN1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193628655 375881745 /nfs/dbraw/zinc/88/17/45/375881745.db2.gz DJQFVKRGKQQVIP-OKILXGFUSA-N 1 3 275.352 1.631 20 5 CDBDHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580371920 1172416369 /nfs/dbraw/zinc/41/63/69/1172416369.db2.gz BSNIIJCWPWDBAT-MCIONIFRSA-N 1 3 279.340 1.488 20 5 CDBDHO CCN(CC)CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957825 927580533 /nfs/dbraw/zinc/58/05/33/927580533.db2.gz JCMJYGCNEBIARD-STQMWFEESA-N 1 3 257.378 1.753 20 5 CDBDHO C[N+](C)(C)CCO[C@H]1CCN(Cc2ccccc2)C1 ZINC001224771298 941790403 /nfs/dbraw/zinc/79/04/03/941790403.db2.gz IVODJIMJWAMUNW-INIZCTEOSA-N 1 3 263.405 1.984 20 5 CDBDHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246582485 948313836 /nfs/dbraw/zinc/31/38/36/948313836.db2.gz MYNAPNRARFMTSZ-RWMBFGLXSA-N 1 3 255.362 1.493 20 5 CDBDHO NC[C@@H]1CCCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246582485 948313844 /nfs/dbraw/zinc/31/38/44/948313844.db2.gz MYNAPNRARFMTSZ-RWMBFGLXSA-N 1 3 255.362 1.493 20 5 CDBDHO CC[C@@H](NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000420395216 244198024 /nfs/dbraw/zinc/19/80/24/244198024.db2.gz DDTCLLAYVOYUNF-OAHLLOKOSA-N 1 3 292.383 1.541 20 5 CDBDHO CC(C)[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272228 392960771 /nfs/dbraw/zinc/96/07/71/392960771.db2.gz JRILOSJISQLJAI-AGIUHOORSA-N 1 3 295.387 1.848 20 5 CDBDHO C[C@@H](CN)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841050175 811636865 /nfs/dbraw/zinc/63/68/65/811636865.db2.gz YVBCYOWCFJMPFI-LBPRGKRZSA-N 1 3 292.383 1.748 20 5 CDBDHO C[C@@H]([NH3+])C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923284153 813019691 /nfs/dbraw/zinc/01/96/91/813019691.db2.gz IJVWXSAKQFMRBI-IAQYHMDHSA-N 1 3 293.367 1.687 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCCNC1)C2 ZINC001246089411 947938722 /nfs/dbraw/zinc/93/87/22/947938722.db2.gz DWKWAIGAGCZCRJ-KBPBESRZSA-N 1 3 275.352 1.794 20 5 CDBDHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826538 365526905 /nfs/dbraw/zinc/52/69/05/365526905.db2.gz SCEBHRXWHMWSLE-SWLSCSKDSA-N 1 3 293.367 1.951 20 5 CDBDHO C[C@H]([NH3+])[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251396 356110931 /nfs/dbraw/zinc/11/09/31/356110931.db2.gz RMPQDPDNFNSZKH-WCQYABFASA-N 1 3 263.341 1.806 20 5 CDBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCn1ccc([N+](=O)[O-])n1)C2 ZINC000375762677 359585406 /nfs/dbraw/zinc/58/54/06/359585406.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 1 3 293.371 1.348 20 5 CDBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C2 ZINC000375762677 359585407 /nfs/dbraw/zinc/58/54/07/359585407.db2.gz KOGIXCIOSNTCGH-FUNVUKJBSA-N 1 3 293.371 1.348 20 5 CDBDHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420353866 244130452 /nfs/dbraw/zinc/13/04/52/244130452.db2.gz CGEVVRKTOGZYJL-CQSZACIVSA-N 1 3 293.367 1.951 20 5 CDBDHO Cc1ccc([C@H](C)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000420408106 244208645 /nfs/dbraw/zinc/20/86/45/244208645.db2.gz OXEBGYHBFYZBHA-ZDUSSCGKSA-N 1 3 292.383 1.459 20 5 CDBDHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876948 370965613 /nfs/dbraw/zinc/96/56/13/370965613.db2.gz MAJMTBIBEIWKEI-QWRGUYRKSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876948 370965615 /nfs/dbraw/zinc/96/56/15/370965615.db2.gz MAJMTBIBEIWKEI-QWRGUYRKSA-N 1 3 294.355 1.496 20 5 CDBDHO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CCC[NH3+] ZINC000422712218 245170199 /nfs/dbraw/zinc/17/01/99/245170199.db2.gz HYXROSJKQJMMDP-SNVBAGLBSA-N 1 3 267.329 1.820 20 5 CDBDHO CC[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423475139 392964663 /nfs/dbraw/zinc/96/46/63/392964663.db2.gz RPNBFVJXFDRPIQ-TUAOUCFPSA-N 1 3 281.360 1.602 20 5 CDBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@H](C)C[NH3+])c1F ZINC001173184907 912281536 /nfs/dbraw/zinc/28/15/36/912281536.db2.gz SMGPJPFXDBBFTD-NXEZZACHSA-N 1 3 299.346 1.858 20 5 CDBDHO CCC1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)C[NH2+]C1 ZINC001168583350 919290955 /nfs/dbraw/zinc/29/09/55/919290955.db2.gz KMFHCESHFIEVTA-UHFFFAOYSA-N 1 3 262.313 1.362 20 5 CDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[C@H](C)[NH3+] ZINC000414825981 367023487 /nfs/dbraw/zinc/02/34/87/367023487.db2.gz UWUYGVYNOSZZMB-WDEREUQCSA-N 1 3 294.355 1.639 20 5 CDBDHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876947 368615744 /nfs/dbraw/zinc/61/57/44/368615744.db2.gz MAJMTBIBEIWKEI-MNOVXSKESA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876947 368615747 /nfs/dbraw/zinc/61/57/47/368615747.db2.gz MAJMTBIBEIWKEI-MNOVXSKESA-N 1 3 294.355 1.496 20 5 CDBDHO Cc1ccc([C@@H](C)NCCOCC[NH3+])cc1[N+](=O)[O-] ZINC000420409162 244210954 /nfs/dbraw/zinc/21/09/54/244210954.db2.gz QGDDVSQHKSROLY-LLVKDONJSA-N 1 3 267.329 1.529 20 5 CDBDHO CC[NH2+]CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000562956064 293225492 /nfs/dbraw/zinc/22/54/92/293225492.db2.gz BVTSFLSIKAHPGT-OLZOCXBDSA-N 1 3 295.387 1.864 20 5 CDBDHO COc1ccc(C[C@@H](C)NC2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170313968 1162334369 /nfs/dbraw/zinc/33/43/69/1162334369.db2.gz SDQDWKMHKFFQQK-OIKLOGQESA-N 1 3 279.340 1.614 20 5 CDBDHO COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1[O-] ZINC001579152710 1172107814 /nfs/dbraw/zinc/10/78/14/1172107814.db2.gz DCESWPYKTLDLPE-JTQLQIEISA-N 1 3 297.355 1.916 20 5 CDBDHO CN(C1CC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039923 927655110 /nfs/dbraw/zinc/65/51/10/927655110.db2.gz VVMHGVXYAOJIML-IUODEOHRSA-N 1 3 281.400 1.990 20 5 CDBDHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423299615 374376075 /nfs/dbraw/zinc/37/60/75/374376075.db2.gz CCAVSTLYSDQBSB-WOPDTQHZSA-N 1 3 281.360 1.459 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCN(C)C ZINC000453219325 278298539 /nfs/dbraw/zinc/29/85/39/278298539.db2.gz LYKZHOBWSMNHQB-ZDUSSCGKSA-N 1 3 295.383 1.694 20 5 CDBDHO C[C@H]([NH3+])CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423223581 289772251 /nfs/dbraw/zinc/77/22/51/289772251.db2.gz GQHALQTWPIPOAJ-TUAOUCFPSA-N 1 3 281.360 1.602 20 5 CDBDHO CC(C)N1CCN(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168979721 927569129 /nfs/dbraw/zinc/56/91/29/927569129.db2.gz ZQYUSEGZBRKPDU-LSDHHAIUSA-N 1 3 298.431 1.047 20 5 CDBDHO CN1CCN(C(=[NH2+])Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001157910674 938560875 /nfs/dbraw/zinc/56/08/75/938560875.db2.gz QTFUCBPEJLXGOL-UHFFFAOYSA-N 1 3 298.734 1.237 20 5 CDBDHO [NH3+][C@@H]1CC[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261783229 140388932 /nfs/dbraw/zinc/38/89/32/140388932.db2.gz PVDCFLRLJCWKJO-AEGPPILISA-N 1 3 275.352 1.806 20 5 CDBDHO CC[NH2+]CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000562956062 293225667 /nfs/dbraw/zinc/22/56/67/293225667.db2.gz BVTSFLSIKAHPGT-CHWSQXEVSA-N 1 3 295.387 1.864 20 5 CDBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886840109 846035494 /nfs/dbraw/zinc/03/54/94/846035494.db2.gz TUFAYZLQDNXCHB-CHWSQXEVSA-N 1 3 290.367 1.811 20 5 CDBDHO C[C@H]([NH3+])C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923284154 847144864 /nfs/dbraw/zinc/14/48/64/847144864.db2.gz IJVWXSAKQFMRBI-NHYWBVRUSA-N 1 3 293.367 1.687 20 5 CDBDHO COc1cc([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])cc1F ZINC001167878704 901604079 /nfs/dbraw/zinc/60/40/79/901604079.db2.gz OHSZIEKURQJMLA-UHFFFAOYSA-N 1 3 299.306 1.418 20 5 CDBDHO C[C@@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1 ZINC001576622189 1171470321 /nfs/dbraw/zinc/47/03/21/1171470321.db2.gz AVOGEEOXWKJLQY-QKEWWQLBSA-N 1 3 279.344 1.225 20 5 CDBDHO C[C@H]([NH3+])C[C@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000423016931 374368639 /nfs/dbraw/zinc/36/86/39/374368639.db2.gz UYIHSVZRJIPCBA-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](N)C[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016931 374368646 /nfs/dbraw/zinc/36/86/46/374368646.db2.gz UYIHSVZRJIPCBA-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO CC(C)([NH3+])CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282967 392961157 /nfs/dbraw/zinc/96/11/57/392961157.db2.gz DQCARVNFSBOIIR-GHMZBOCLSA-N 1 3 281.360 1.602 20 5 CDBDHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423266945 277274710 /nfs/dbraw/zinc/27/47/10/277274710.db2.gz DMFLILYSRDLDCP-NEPJUHHUSA-N 1 3 265.357 1.971 20 5 CDBDHO C[C@@](C[NH3+])(NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430599109 279149097 /nfs/dbraw/zinc/14/90/97/279149097.db2.gz UYIAIGLRFJUOQH-AWEZNQCLSA-N 1 3 263.341 1.854 20 5 CDBDHO Cc1cc(C)c([N+](=O)[O-])c(NC(=[NH2+])N2CCN(C)CC2)n1 ZINC001157914915 1162544736 /nfs/dbraw/zinc/54/47/36/1162544736.db2.gz HCVVEDWJOAUQKJ-UHFFFAOYSA-N 1 3 292.343 1.201 20 5 CDBDHO CC(C)N1CCN(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168979719 927569357 /nfs/dbraw/zinc/56/93/57/927569357.db2.gz ZQYUSEGZBRKPDU-GJZGRUSLSA-N 1 3 298.431 1.047 20 5 CDBDHO CN1CC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169039485 927650735 /nfs/dbraw/zinc/65/07/35/927650735.db2.gz QAWHHOJHSZHWRY-QWHCGFSZSA-N 1 3 267.373 1.459 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001169052552 927672527 /nfs/dbraw/zinc/67/25/27/927672527.db2.gz HEJGJPQYISKVFO-TZMCWYRMSA-N 1 3 267.373 1.602 20 5 CDBDHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246205570 948027356 /nfs/dbraw/zinc/02/73/56/948027356.db2.gz PXSYAIWYMOXDAL-MCIONIFRSA-N 1 3 275.352 1.922 20 5 CDBDHO C[NH2+]CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000261967487 357348374 /nfs/dbraw/zinc/34/83/74/357348374.db2.gz BRDUTIRTPJOBDG-UHFFFAOYSA-N 1 3 281.360 1.113 20 5 CDBDHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576807 375290401 /nfs/dbraw/zinc/29/04/01/375290401.db2.gz PXTJVIOTSMQCNR-AAEUAGOBSA-N 1 3 263.341 1.806 20 5 CDBDHO O=[N+]([O-])c1ccccc1C[C@H](NCC1C[NH2+]C1)C1CC1 ZINC000423304291 392961129 /nfs/dbraw/zinc/96/11/29/392961129.db2.gz NUAZXVKBCJHFAP-AWEZNQCLSA-N 1 3 275.352 1.725 20 5 CDBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CNC1)C1CC1 ZINC000423304291 392961136 /nfs/dbraw/zinc/96/11/36/392961136.db2.gz NUAZXVKBCJHFAP-AWEZNQCLSA-N 1 3 275.352 1.725 20 5 CDBDHO [NH3+]CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430605956 393102976 /nfs/dbraw/zinc/10/29/76/393102976.db2.gz UYUKIFVXPKOBTR-UHFFFAOYSA-N 1 3 279.340 1.644 20 5 CDBDHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430967774 393106730 /nfs/dbraw/zinc/10/67/30/393106730.db2.gz UQTHKUNOJZCGHF-LLVKDONJSA-N 1 3 292.339 1.204 20 5 CDBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001169052550 927669986 /nfs/dbraw/zinc/66/99/86/927669986.db2.gz HEJGJPQYISKVFO-JSGCOSHPSA-N 1 3 267.373 1.602 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254581667 947537737 /nfs/dbraw/zinc/53/77/37/947537737.db2.gz PXSYAIWYMOXDAL-MELADBBJSA-N 1 3 275.352 1.922 20 5 CDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)N ZINC000414810054 241399978 /nfs/dbraw/zinc/39/99/78/241399978.db2.gz WNYQKMXKJZTVRV-SNVBAGLBSA-N 1 3 294.355 1.639 20 5 CDBDHO C[C@H](NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000219319272 140167276 /nfs/dbraw/zinc/16/72/76/140167276.db2.gz JULJQSXWFMKPLA-LBPRGKRZSA-N 1 3 281.356 1.824 20 5 CDBDHO [NH3+]CCCOCCNCc1cccc([N+](=O)[O-])c1 ZINC000600680010 342242216 /nfs/dbraw/zinc/24/22/16/342242216.db2.gz QXZYZNFLEDPFKG-UHFFFAOYSA-N 1 3 253.302 1.050 20 5 CDBDHO C[C@H](C[NH3+])N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414926430 371107086 /nfs/dbraw/zinc/10/70/86/371107086.db2.gz KNIXSEGTYGEBOJ-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H]([NH3+])C[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000422793398 245263118 /nfs/dbraw/zinc/26/31/18/245263118.db2.gz SBPBXOXWNHXZAH-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422793398 245263121 /nfs/dbraw/zinc/26/31/21/245263121.db2.gz SBPBXOXWNHXZAH-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357079983 375707392 /nfs/dbraw/zinc/70/73/92/375707392.db2.gz DUKXQSUZPUMUKN-ZDUSSCGKSA-N 1 3 293.371 1.113 20 5 CDBDHO C[NH2+]CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430971744 393107694 /nfs/dbraw/zinc/10/76/94/393107694.db2.gz PFHMZCCXHXJABP-UHFFFAOYSA-N 1 3 293.367 1.905 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(C)(C)C[NH3+] ZINC001254532912 947508184 /nfs/dbraw/zinc/50/81/84/947508184.db2.gz SNJFJZBJWMLBTQ-JTQLQIEISA-N 1 3 251.330 1.853 20 5 CDBDHO NC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001246084237 947934468 /nfs/dbraw/zinc/93/44/68/947934468.db2.gz PNIGKIKWWSZPAL-CYBMUJFWSA-N 1 3 275.352 1.923 20 5 CDBDHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423302362 390825685 /nfs/dbraw/zinc/82/56/85/390825685.db2.gz HGADVFBDRBRKOM-QWRGUYRKSA-N 1 3 251.330 1.710 20 5 CDBDHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423302362 390825686 /nfs/dbraw/zinc/82/56/86/390825686.db2.gz HGADVFBDRBRKOM-QWRGUYRKSA-N 1 3 251.330 1.710 20 5 CDBDHO CCCN(CCn1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000431066902 393106535 /nfs/dbraw/zinc/10/65/35/393106535.db2.gz OUZYOWRVPALEER-UHFFFAOYSA-N 1 3 281.360 1.255 20 5 CDBDHO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCNCC1 ZINC000431066902 393106542 /nfs/dbraw/zinc/10/65/42/393106542.db2.gz OUZYOWRVPALEER-UHFFFAOYSA-N 1 3 281.360 1.255 20 5 CDBDHO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCNCC1 ZINC000431066902 393106546 /nfs/dbraw/zinc/10/65/46/393106546.db2.gz OUZYOWRVPALEER-UHFFFAOYSA-N 1 3 281.360 1.255 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH3+] ZINC000423302363 279382105 /nfs/dbraw/zinc/38/21/05/279382105.db2.gz HGADVFBDRBRKOM-WDEREUQCSA-N 1 3 251.330 1.710 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CN ZINC000423302363 279382108 /nfs/dbraw/zinc/38/21/08/279382108.db2.gz HGADVFBDRBRKOM-WDEREUQCSA-N 1 3 251.330 1.710 20 5 CDBDHO [NH3+]CCN(c1cccnc1)c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168835986 1161989225 /nfs/dbraw/zinc/98/92/25/1161989225.db2.gz GZADQXIZARKMDZ-UHFFFAOYSA-N 1 3 299.334 1.690 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1N[C@@]13CCC[C@@H]1[NH2+]CC3)CNC2 ZINC001162982767 939168639 /nfs/dbraw/zinc/16/86/39/939168639.db2.gz KVIMCJKITKAQBO-LSDHHAIUSA-N 1 3 288.351 1.895 20 5 CDBDHO O=[N+]([O-])c1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000591281615 342624227 /nfs/dbraw/zinc/62/42/27/342624227.db2.gz FGWFXXAIQBLJKQ-ZDUSSCGKSA-N 1 3 261.325 1.827 20 5 CDBDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269060468 366715697 /nfs/dbraw/zinc/71/56/97/366715697.db2.gz UBLOULXQUVNEQF-LBPRGKRZSA-N 1 3 293.367 1.702 20 5 CDBDHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000420353863 244129106 /nfs/dbraw/zinc/12/91/06/244129106.db2.gz CGEVVRKTOGZYJL-AWEZNQCLSA-N 1 3 293.367 1.951 20 5 CDBDHO CC[C@H]([NH3+])CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423475137 392964128 /nfs/dbraw/zinc/96/41/28/392964128.db2.gz RPNBFVJXFDRPIQ-SDDRHHMPSA-N 1 3 281.360 1.602 20 5 CDBDHO CC(C)[C@@](C)(C[NH3+])NCCOc1cccc([N+](=O)[O-])c1 ZINC000430589991 393100949 /nfs/dbraw/zinc/10/09/49/393100949.db2.gz JOPBGBTXZZQPJM-CQSZACIVSA-N 1 3 281.356 1.937 20 5 CDBDHO COc1ccc(C[C@@H](C)NC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170297693 1162327700 /nfs/dbraw/zinc/32/77/00/1162327700.db2.gz QSQUTVFNKUUUJE-SNVBAGLBSA-N 1 3 281.356 1.861 20 5 CDBDHO N=C(Nc1cc2c(cc1[N+](=O)[O-])CNC2)SCC[NH3+] ZINC001167915571 902221017 /nfs/dbraw/zinc/22/10/17/902221017.db2.gz UNUJFUCXWATXIO-UHFFFAOYSA-N 1 3 281.341 1.237 20 5 CDBDHO CCCN1C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]2C1 ZINC001169049016 927665270 /nfs/dbraw/zinc/66/52/70/927665270.db2.gz VRCFSHSXROKAKY-KBUPBQIOSA-N 1 3 281.400 1.705 20 5 CDBDHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430936068 393105620 /nfs/dbraw/zinc/10/56/20/393105620.db2.gz WSVBDLONYTYCEW-NSHDSACASA-N 1 3 292.339 1.204 20 5 CDBDHO C[N+](C)(C)CCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224773382 910675911 /nfs/dbraw/zinc/67/59/11/910675911.db2.gz ILSHSYVLMGWGEX-GASCZTMLSA-N 1 3 271.425 1.353 20 5 CDBDHO CCN(CC)CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957822 927579602 /nfs/dbraw/zinc/57/96/02/927579602.db2.gz JCMJYGCNEBIARD-CHWSQXEVSA-N 1 3 257.378 1.753 20 5 CDBDHO COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591281871 342624235 /nfs/dbraw/zinc/62/42/35/342624235.db2.gz QLMCZOTZVBNKLB-CQSZACIVSA-N 1 3 291.351 1.835 20 5 CDBDHO C[N@H+]1CC=C(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000271856154 191369616 /nfs/dbraw/zinc/36/96/16/191369616.db2.gz UXEASVJLCUIAEY-UHFFFAOYSA-N 1 3 261.325 1.946 20 5 CDBDHO C[N@@H+]1CC=C(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000271856154 191369618 /nfs/dbraw/zinc/36/96/18/191369618.db2.gz UXEASVJLCUIAEY-UHFFFAOYSA-N 1 3 261.325 1.946 20 5 CDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420330399 244093273 /nfs/dbraw/zinc/09/32/73/244093273.db2.gz BGZJHLCXUXTAFW-CQSZACIVSA-N 1 3 293.371 1.255 20 5 CDBDHO C[C@@H](C[NH3+])N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414942698 371136490 /nfs/dbraw/zinc/13/64/90/371136490.db2.gz KNIXSEGTYGEBOJ-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCCN(C)C ZINC000453219322 279382130 /nfs/dbraw/zinc/38/21/30/279382130.db2.gz LYKZHOBWSMNHQB-CYBMUJFWSA-N 1 3 295.383 1.694 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]23CCCNC3)C1 ZINC001246613381 948346950 /nfs/dbraw/zinc/34/69/50/948346950.db2.gz YUPLQXTWMPYNLY-MCIONIFRSA-N 1 3 267.373 1.650 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]23CCCNC3)C1 ZINC001246613381 948346951 /nfs/dbraw/zinc/34/69/51/948346951.db2.gz YUPLQXTWMPYNLY-MCIONIFRSA-N 1 3 267.373 1.650 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573697736 361919399 /nfs/dbraw/zinc/91/93/99/361919399.db2.gz WJSSNYPHIUXNEA-NWDGAFQWSA-N 1 3 279.340 1.833 20 5 CDBDHO C[NH+]1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000077450366 342330396 /nfs/dbraw/zinc/33/03/96/342330396.db2.gz DSBZELWFTZWGHX-UHFFFAOYSA-N 1 3 279.340 1.141 20 5 CDBDHO C[C@H](C[C@H](C)[NH3+])NCCc1cccc([N+](=O)[O-])c1 ZINC000423016932 374368535 /nfs/dbraw/zinc/36/85/35/374368535.db2.gz UYIHSVZRJIPCBA-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](C[C@H](C)N)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016932 374368540 /nfs/dbraw/zinc/36/85/40/374368540.db2.gz UYIHSVZRJIPCBA-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338215 374377926 /nfs/dbraw/zinc/37/79/26/374377926.db2.gz VTXOSEUXWOOCDY-RYUDHWBXSA-N 1 3 293.371 1.746 20 5 CDBDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826536 293424694 /nfs/dbraw/zinc/42/46/94/293424694.db2.gz SCEBHRXWHMWSLE-DOMZBBRYSA-N 1 3 293.367 1.951 20 5 CDBDHO CN1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762544 960557617 /nfs/dbraw/zinc/55/76/17/960557617.db2.gz CSYASJNPVMCGHG-SMDDNHRTSA-N 1 3 279.340 1.170 20 5 CDBDHO CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N ZINC000603435284 344808723 /nfs/dbraw/zinc/80/87/23/344808723.db2.gz XIHCSWHEDWPNQK-QWHCGFSZSA-N 1 3 279.340 1.689 20 5 CDBDHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000422793391 245261765 /nfs/dbraw/zinc/26/17/65/245261765.db2.gz SBPBXOXWNHXZAH-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422793391 245261769 /nfs/dbraw/zinc/26/17/69/245261769.db2.gz SBPBXOXWNHXZAH-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423297706 392960647 /nfs/dbraw/zinc/96/06/47/392960647.db2.gz LLVPROAIPQRGJT-GHMZBOCLSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423297706 392960653 /nfs/dbraw/zinc/96/06/53/392960653.db2.gz LLVPROAIPQRGJT-GHMZBOCLSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423188427 397602279 /nfs/dbraw/zinc/60/22/79/397602279.db2.gz ZCSUCPNLEMMJAC-CYBMUJFWSA-N 1 3 292.383 1.541 20 5 CDBDHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423209785 397602940 /nfs/dbraw/zinc/60/29/40/397602940.db2.gz VQFIJGYOBUKOPS-GFCCVEGCSA-N 1 3 278.356 1.151 20 5 CDBDHO [NH3+]C1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000902412755 624736607 /nfs/dbraw/zinc/73/66/07/624736607.db2.gz CXWMYLPBFVBPKR-ZDUSSCGKSA-N 1 3 275.352 1.997 20 5 CDBDHO CC1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC[NH2+]CC1 ZINC001168186320 907746617 /nfs/dbraw/zinc/74/66/17/907746617.db2.gz WUSXWHWALHPHAQ-UHFFFAOYSA-N 1 3 276.340 1.752 20 5 CDBDHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977172 927562920 /nfs/dbraw/zinc/56/29/20/927562920.db2.gz IQYNTOBZRSMBPV-JHJVBQTASA-N 1 3 255.362 1.506 20 5 CDBDHO C[C@@H]([NH3+])C[C@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000423016930 374368512 /nfs/dbraw/zinc/36/85/12/374368512.db2.gz UYIHSVZRJIPCBA-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016930 374368517 /nfs/dbraw/zinc/36/85/17/374368517.db2.gz UYIHSVZRJIPCBA-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272231 392960911 /nfs/dbraw/zinc/96/09/11/392960911.db2.gz JRILOSJISQLJAI-UPJWGTAASA-N 1 3 295.387 1.848 20 5 CDBDHO C[C@H]1NCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596658 726983551 /nfs/dbraw/zinc/98/35/51/726983551.db2.gz KSPGGWLGQNESFH-BXUZGUMPSA-N 1 3 279.340 1.704 20 5 CDBDHO [NH3+][C@@H]1CCc2nn(-c3cc4c(cc3[N+](=O)[O-])CNC4)cc2C1 ZINC001168818823 927490952 /nfs/dbraw/zinc/49/09/52/927490952.db2.gz AGKPZSUCZCQKRN-GFCCVEGCSA-N 1 3 299.334 1.200 20 5 CDBDHO C[C@H]1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1 ZINC001576622188 1171469589 /nfs/dbraw/zinc/46/95/89/1171469589.db2.gz AVOGEEOXWKJLQY-JYBOHDQNSA-N 1 3 279.344 1.225 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000582431265 364087782 /nfs/dbraw/zinc/08/77/82/364087782.db2.gz YPNQXOUJICUBRS-STQMWFEESA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000424333692 374408800 /nfs/dbraw/zinc/40/88/00/374408800.db2.gz MKHPAWHMGYAQLW-ZIAGYGMSSA-N 1 3 279.340 1.833 20 5 CDBDHO COc1cc(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])cc1[O-] ZINC001579154151 1172108250 /nfs/dbraw/zinc/10/82/50/1172108250.db2.gz VJIZAHVTFMRRKB-CZMCAQCFSA-N 1 3 281.312 1.136 20 5 CDBDHO O=[N+]([O-])c1cc(CN[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000591281946 342624344 /nfs/dbraw/zinc/62/43/44/342624344.db2.gz ZZRFXMUKDMOTCL-JTQLQIEISA-N 1 3 267.354 1.888 20 5 CDBDHO C[C@H]([NH3+])CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591581403 342638025 /nfs/dbraw/zinc/63/80/25/342638025.db2.gz VIQVODOYOAFZEQ-GXFFZTMASA-N 1 3 263.341 1.853 20 5 CDBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C[NH+](C)C)CC1 ZINC000602763115 344584163 /nfs/dbraw/zinc/58/41/63/344584163.db2.gz AXQIYMUAODEUFS-UHFFFAOYSA-N 1 3 295.387 1.373 20 5 CDBDHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011795 374366095 /nfs/dbraw/zinc/36/60/95/374366095.db2.gz JJQMYKORAGYLRY-GXTWGEPZSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011795 374366099 /nfs/dbraw/zinc/36/60/99/374366099.db2.gz JJQMYKORAGYLRY-GXTWGEPZSA-N 1 3 263.341 1.854 20 5 CDBDHO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000312500735 1186699428 /nfs/dbraw/zinc/69/94/28/1186699428.db2.gz LOUNMXVSAFDMDX-SMDDNHRTSA-N 1 3 281.356 1.416 20 5 CDBDHO C[C@@H]1NCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596659 730448683 /nfs/dbraw/zinc/44/86/83/730448683.db2.gz KSPGGWLGQNESFH-FZMZJTMJSA-N 1 3 279.340 1.704 20 5 CDBDHO [NH3+]CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923283002 732133311 /nfs/dbraw/zinc/13/33/11/732133311.db2.gz WLGVEXVUDRRUBP-CQSZACIVSA-N 1 3 279.340 1.299 20 5 CDBDHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962942 732208827 /nfs/dbraw/zinc/20/88/27/732208827.db2.gz PMOQJOWQSDBCHI-RKDXNWHRSA-N 1 3 252.318 1.422 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001169008216 927614426 /nfs/dbraw/zinc/61/44/26/927614426.db2.gz SCQUZCYCXIWIDL-HIFRSBDPSA-N 1 3 290.367 1.649 20 5 CDBDHO CN(C)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335882285 955079938 /nfs/dbraw/zinc/07/99/38/955079938.db2.gz TVOWYDKEINWQOF-CQSZACIVSA-N 1 3 295.383 1.806 20 5 CDBDHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620785 317368828 /nfs/dbraw/zinc/36/88/28/317368828.db2.gz QZKONNVUTGJEAE-CHWSQXEVSA-N 1 3 265.313 1.443 20 5 CDBDHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000591580687 342637980 /nfs/dbraw/zinc/63/79/80/342637980.db2.gz JVVRLMZWWLWXHB-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H](C)C[NH3+] ZINC000423297709 392960786 /nfs/dbraw/zinc/96/07/86/392960786.db2.gz LLVPROAIPQRGJT-WDEREUQCSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)CN ZINC000423297709 392960791 /nfs/dbraw/zinc/96/07/91/392960791.db2.gz LLVPROAIPQRGJT-WDEREUQCSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423299614 278181936 /nfs/dbraw/zinc/18/19/36/278181936.db2.gz CCAVSTLYSDQBSB-UTUOFQBUSA-N 1 3 281.360 1.459 20 5 CDBDHO O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420331614 244096097 /nfs/dbraw/zinc/09/60/97/244096097.db2.gz FJCCFPZHPAVASO-CYBMUJFWSA-N 1 3 293.371 1.255 20 5 CDBDHO C[C@](C[NH3+])(NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000430599110 391121918 /nfs/dbraw/zinc/12/19/18/391121918.db2.gz UYIAIGLRFJUOQH-CQSZACIVSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923283000 740848743 /nfs/dbraw/zinc/84/87/43/740848743.db2.gz WLGVEXVUDRRUBP-AWEZNQCLSA-N 1 3 279.340 1.299 20 5 CDBDHO C[NH+](C)CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161671514 938918705 /nfs/dbraw/zinc/91/87/05/938918705.db2.gz UETRRBNONZWOMA-UHFFFAOYSA-N 1 3 250.302 1.172 20 5 CDBDHO C[C@@H]1CC[C@H](CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106481 947957878 /nfs/dbraw/zinc/95/78/78/947957878.db2.gz QCYJPAKSNRCRQV-FVCCEPFGSA-N 1 3 255.362 1.410 20 5 CDBDHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246117319 947967124 /nfs/dbraw/zinc/96/71/24/947967124.db2.gz ZJLVTBGKBDHSEE-BYCMXARLSA-N 1 3 289.379 1.897 20 5 CDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC[C@H](C)[NH3+] ZINC001246302195 948092914 /nfs/dbraw/zinc/09/29/14/948092914.db2.gz WLNPYTXOFKYWPK-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO [NH3+][C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549247 948257500 /nfs/dbraw/zinc/25/75/00/948257500.db2.gz WGWXGDVDJGLLTR-HIFRSBDPSA-N 1 3 275.352 1.875 20 5 CDBDHO O=[N+]([O-])c1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000591281614 342624140 /nfs/dbraw/zinc/62/41/40/342624140.db2.gz FGWFXXAIQBLJKQ-CYBMUJFWSA-N 1 3 261.325 1.827 20 5 CDBDHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000420355383 244133149 /nfs/dbraw/zinc/13/31/49/244133149.db2.gz DUVOISFXLDULGP-AWEZNQCLSA-N 1 3 293.367 1.951 20 5 CDBDHO C[C@@H](CCC[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000415028938 391247751 /nfs/dbraw/zinc/24/77/51/391247751.db2.gz ZGZSTDGVXKXQCR-VIFPVBQESA-N 1 3 255.293 1.951 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000582431264 324975949 /nfs/dbraw/zinc/97/59/49/324975949.db2.gz YPNQXOUJICUBRS-QWHCGFSZSA-N 1 3 263.341 1.997 20 5 CDBDHO COCCC1([NH3+])CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998190 1161996826 /nfs/dbraw/zinc/99/68/26/1161996826.db2.gz JJQZOIIONOQKDP-STQMWFEESA-N 1 3 285.388 1.262 20 5 CDBDHO COc1ccc(CN2CC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723690679 746650794 /nfs/dbraw/zinc/65/07/94/746650794.db2.gz VXWKWNPASMXUIP-NSHDSACASA-N 1 3 279.340 1.774 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001061 927605731 /nfs/dbraw/zinc/60/57/31/927605731.db2.gz CQYRCZVEONCGBT-WQVCFCJDSA-N 1 3 289.379 1.817 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001061 927605742 /nfs/dbraw/zinc/60/57/42/927605742.db2.gz CQYRCZVEONCGBT-WQVCFCJDSA-N 1 3 289.379 1.817 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567861 947528367 /nfs/dbraw/zinc/52/83/67/947528367.db2.gz PXSYAIWYMOXDAL-MJBXVCDLSA-N 1 3 275.352 1.922 20 5 CDBDHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000422736481 245195306 /nfs/dbraw/zinc/19/53/06/245195306.db2.gz GFSQZUGYQYYHHV-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422736481 245195309 /nfs/dbraw/zinc/19/53/09/245195309.db2.gz GFSQZUGYQYYHHV-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423297708 392960204 /nfs/dbraw/zinc/96/02/04/392960204.db2.gz LLVPROAIPQRGJT-QWRGUYRKSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423297708 392960212 /nfs/dbraw/zinc/96/02/12/392960212.db2.gz LLVPROAIPQRGJT-QWRGUYRKSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000312500731 1186700169 /nfs/dbraw/zinc/70/01/69/1186700169.db2.gz LOUNMXVSAFDMDX-BXUZGUMPSA-N 1 3 281.356 1.416 20 5 CDBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(C)(C)C[NH3+] ZINC001173211145 912333486 /nfs/dbraw/zinc/33/34/86/912333486.db2.gz PVQLTLNCPOJUBP-JTQLQIEISA-N 1 3 251.330 1.853 20 5 CDBDHO NC[C@@H]1CCCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246582480 948313237 /nfs/dbraw/zinc/31/32/37/948313237.db2.gz MYNAPNRARFMTSZ-AGIUHOORSA-N 1 3 255.362 1.493 20 5 CDBDHO NC[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246582480 948313247 /nfs/dbraw/zinc/31/32/47/948313247.db2.gz MYNAPNRARFMTSZ-AGIUHOORSA-N 1 3 255.362 1.493 20 5 CDBDHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576560 375290505 /nfs/dbraw/zinc/29/05/05/375290505.db2.gz PXTJVIOTSMQCNR-YPMHNXCESA-N 1 3 263.341 1.806 20 5 CDBDHO CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCC[NH2+]CC1 ZINC000435616535 248177381 /nfs/dbraw/zinc/17/73/81/248177381.db2.gz KUTHKQFVNSAPMB-GFCCVEGCSA-N 1 3 281.360 1.255 20 5 CDBDHO C[NH2+]CCCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423201281 397602287 /nfs/dbraw/zinc/60/22/87/397602287.db2.gz OKKKLHXRAMVACQ-LLVKDONJSA-N 1 3 251.330 1.725 20 5 CDBDHO COCCC1([NH3+])CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998187 1161997145 /nfs/dbraw/zinc/99/71/45/1161997145.db2.gz JJQZOIIONOQKDP-CHWSQXEVSA-N 1 3 285.388 1.262 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001058 927605891 /nfs/dbraw/zinc/60/58/91/927605891.db2.gz CQYRCZVEONCGBT-KCXAZCMYSA-N 1 3 289.379 1.817 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001058 927605898 /nfs/dbraw/zinc/60/58/98/927605898.db2.gz CQYRCZVEONCGBT-KCXAZCMYSA-N 1 3 289.379 1.817 20 5 CDBDHO [NH3+]CC1(F)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246625975 948361783 /nfs/dbraw/zinc/36/17/83/948361783.db2.gz IRMRRGTYXDWCDL-CQSZACIVSA-N 1 3 293.342 1.825 20 5 CDBDHO C[C@H]([NH3+])CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591581402 342637932 /nfs/dbraw/zinc/63/79/32/342637932.db2.gz VIQVODOYOAFZEQ-GWCFXTLKSA-N 1 3 263.341 1.853 20 5 CDBDHO CN(CCC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592473863 342698989 /nfs/dbraw/zinc/69/89/89/342698989.db2.gz RZCXJBFQVOTHLJ-UHFFFAOYSA-N 1 3 280.328 1.204 20 5 CDBDHO C[NH2+]CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000261970728 357347060 /nfs/dbraw/zinc/34/70/60/357347060.db2.gz DAAXCWKOJVWIGF-UHFFFAOYSA-N 1 3 281.360 1.113 20 5 CDBDHO O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357072007 375706736 /nfs/dbraw/zinc/70/67/36/375706736.db2.gz CZCBLLUMQCEJRJ-ZDUSSCGKSA-N 1 3 293.371 1.113 20 5 CDBDHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](OCCC[N+](C)(C)C)C[C@H]1N2C ZINC001224621028 941777325 /nfs/dbraw/zinc/77/73/25/941777325.db2.gz INCYMQKYQXYMET-CAOSSQGBSA-N 1 3 299.435 1.266 20 5 CDBDHO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CN)C1CC1 ZINC000359875196 356429349 /nfs/dbraw/zinc/42/93/49/356429349.db2.gz JZRDNCMKEQAYRG-CQSZACIVSA-N 1 3 279.340 1.643 20 5 CDBDHO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CN)C1CC1 ZINC000359875196 356429352 /nfs/dbraw/zinc/42/93/52/356429352.db2.gz JZRDNCMKEQAYRG-CQSZACIVSA-N 1 3 279.340 1.643 20 5 CDBDHO O=[N+]([O-])c1ccccc1C[C@@H](NCC1C[NH2+]C1)C1CC1 ZINC000423304294 392960959 /nfs/dbraw/zinc/96/09/59/392960959.db2.gz NUAZXVKBCJHFAP-CQSZACIVSA-N 1 3 275.352 1.725 20 5 CDBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CNC1)C1CC1 ZINC000423304294 392960968 /nfs/dbraw/zinc/96/09/68/392960968.db2.gz NUAZXVKBCJHFAP-CQSZACIVSA-N 1 3 275.352 1.725 20 5 CDBDHO CN(C)CC(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158604624 1178225559 /nfs/dbraw/zinc/22/55/59/1178225559.db2.gz WHVAPFOJXXZHSQ-CQSZACIVSA-N 1 3 295.383 1.806 20 5 CDBDHO COc1ccc(CN2CC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000723690678 775685771 /nfs/dbraw/zinc/68/57/71/775685771.db2.gz VXWKWNPASMXUIP-LLVKDONJSA-N 1 3 279.340 1.774 20 5 CDBDHO CC[N+](C)(C)Cc1ccccc1-n1cnc(CN)c1 ZINC001162302353 938975214 /nfs/dbraw/zinc/97/52/14/938975214.db2.gz PCTREAILLAMVEH-UHFFFAOYSA-N 1 3 259.377 1.927 20 5 CDBDHO CCNCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423241164 374374115 /nfs/dbraw/zinc/37/41/15/374374115.db2.gz UQIIUWQKGQTMIC-LLVKDONJSA-N 1 3 251.330 1.725 20 5 CDBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCNCC2)n1 ZINC000423184669 285169227 /nfs/dbraw/zinc/16/92/27/285169227.db2.gz MQXIRWSDRLNLBJ-OLZOCXBDSA-N 1 3 293.371 1.617 20 5 CDBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NC2CC[NH2+]CC2)n1 ZINC000423184669 285169229 /nfs/dbraw/zinc/16/92/29/285169229.db2.gz MQXIRWSDRLNLBJ-OLZOCXBDSA-N 1 3 293.371 1.617 20 5 CDBDHO C[NH+](C)CCCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035692 927644750 /nfs/dbraw/zinc/64/47/50/927644750.db2.gz LDIFLDUTIWLBMT-CABCVRRESA-N 1 3 298.431 1.001 20 5 CDBDHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962784 930647454 /nfs/dbraw/zinc/64/74/54/930647454.db2.gz PMOQJOWQSDBCHI-BDAKNGLRSA-N 1 3 252.318 1.422 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1NC[C@@H]1C[C@H](F)C[NH2+]1)CNC2 ZINC001162477732 939064327 /nfs/dbraw/zinc/06/43/27/939064327.db2.gz ORNQUZGHDVZHQC-QWRGUYRKSA-N 1 3 280.303 1.310 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1CC[C@@H]3C[NH2+]C[C@@H]31)CNC2 ZINC001163267445 939235970 /nfs/dbraw/zinc/23/59/70/939235970.db2.gz SNRJFGXZENYYEZ-ICCXJUOJSA-N 1 3 288.351 1.608 20 5 CDBDHO CN1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762542 960557192 /nfs/dbraw/zinc/55/71/92/960557192.db2.gz CSYASJNPVMCGHG-FZMZJTMJSA-N 1 3 279.340 1.170 20 5 CDBDHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000603430539 344802770 /nfs/dbraw/zinc/80/27/70/344802770.db2.gz ADZZMXGRHPYLIQ-CHWSQXEVSA-N 1 3 279.340 1.689 20 5 CDBDHO NC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290205 244031070 /nfs/dbraw/zinc/03/10/70/244031070.db2.gz LOCNYLXXQPEAPL-ZDUSSCGKSA-N 1 3 292.339 1.347 20 5 CDBDHO NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290205 244031075 /nfs/dbraw/zinc/03/10/75/244031075.db2.gz LOCNYLXXQPEAPL-ZDUSSCGKSA-N 1 3 292.339 1.347 20 5 CDBDHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000423016896 374368416 /nfs/dbraw/zinc/36/84/16/374368416.db2.gz UYIHSVZRJIPCBA-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423016896 374368423 /nfs/dbraw/zinc/36/84/23/374368423.db2.gz UYIHSVZRJIPCBA-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+](C)C ZINC000453098628 252268225 /nfs/dbraw/zinc/26/82/25/252268225.db2.gz JQSQEHCICIHLGB-WCQYABFASA-N 1 3 281.356 1.038 20 5 CDBDHO O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357072005 391336556 /nfs/dbraw/zinc/33/65/56/391336556.db2.gz CZCBLLUMQCEJRJ-CYBMUJFWSA-N 1 3 293.371 1.113 20 5 CDBDHO CC(C)[C@H]([NH3+])CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272229 392960317 /nfs/dbraw/zinc/96/03/17/392960317.db2.gz JRILOSJISQLJAI-FRRDWIJNSA-N 1 3 295.387 1.848 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCCO1 ZINC000423496019 279382160 /nfs/dbraw/zinc/38/21/60/279382160.db2.gz VUSKVEXTIBPPNF-TZMCWYRMSA-N 1 3 293.367 1.494 20 5 CDBDHO CN1CCC[C@@]2(CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835980 /nfs/dbraw/zinc/83/59/80/523835980.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 1 3 293.371 1.209 20 5 CDBDHO CN1CCC[C@@]2(CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000339433709 523835988 /nfs/dbraw/zinc/83/59/88/523835988.db2.gz XHMMKNUWTPAYNT-CQSZACIVSA-N 1 3 293.371 1.209 20 5 CDBDHO COc1ccc(CNCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000230004488 536891338 /nfs/dbraw/zinc/89/13/38/536891338.db2.gz RXKMJESIUBDKMR-UHFFFAOYSA-N 1 3 297.355 1.271 20 5 CDBDHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406563 624731842 /nfs/dbraw/zinc/73/18/42/624731842.db2.gz NYXLZUGNLVNGSL-WDEREUQCSA-N 1 3 279.344 1.356 20 5 CDBDHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000089150298 913202770 /nfs/dbraw/zinc/20/27/70/913202770.db2.gz YNKMARLOYQSVOY-OCCSQVGLSA-N 1 3 263.341 1.854 20 5 CDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168988945 927627592 /nfs/dbraw/zinc/62/75/92/927627592.db2.gz VGNGQKCSHIKWCZ-ZOBORPQBSA-N 1 3 269.389 1.894 20 5 CDBDHO C[C@H](C[NH3+])N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327040 390826222 /nfs/dbraw/zinc/82/62/22/390826222.db2.gz NHIWLSXCJXKUGN-VWYCJHECSA-N 1 3 267.333 1.212 20 5 CDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCNCC1 ZINC001246073399 930903911 /nfs/dbraw/zinc/90/39/11/930903911.db2.gz UUSMTXRRFADFOT-LLVKDONJSA-N 1 3 263.341 1.867 20 5 CDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC001246073399 930903917 /nfs/dbraw/zinc/90/39/17/930903917.db2.gz UUSMTXRRFADFOT-LLVKDONJSA-N 1 3 263.341 1.867 20 5 CDBDHO C[NH2+]C[C@H](C)CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277642 374374534 /nfs/dbraw/zinc/37/45/34/374374534.db2.gz QEOMVVPMHQGSAL-RWMBFGLXSA-N 1 3 295.387 1.720 20 5 CDBDHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277642 374374544 /nfs/dbraw/zinc/37/45/44/374374544.db2.gz QEOMVVPMHQGSAL-RWMBFGLXSA-N 1 3 295.387 1.720 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C[NH+](C)C ZINC000453098630 252269011 /nfs/dbraw/zinc/26/90/11/252269011.db2.gz JQSQEHCICIHLGB-YPMHNXCESA-N 1 3 281.356 1.038 20 5 CDBDHO C[C@@H](C[NH3+])N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368532 274216515 /nfs/dbraw/zinc/21/65/15/274216515.db2.gz NHIWLSXCJXKUGN-HBNTYKKESA-N 1 3 267.333 1.212 20 5 CDBDHO C[C@H](C[NH3+])CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423302361 279289596 /nfs/dbraw/zinc/28/95/96/279289596.db2.gz HGADVFBDRBRKOM-MNOVXSKESA-N 1 3 251.330 1.710 20 5 CDBDHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423302361 279289600 /nfs/dbraw/zinc/28/96/00/279289600.db2.gz HGADVFBDRBRKOM-MNOVXSKESA-N 1 3 251.330 1.710 20 5 CDBDHO [NH3+]CCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923386229 795053956 /nfs/dbraw/zinc/05/39/56/795053956.db2.gz IBORBPOHYLNBIY-OAHLLOKOSA-N 1 3 293.367 1.689 20 5 CDBDHO CN1CC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019057 927660141 /nfs/dbraw/zinc/66/01/41/927660141.db2.gz GNQJTLZKSCWAPS-CRWXNKLISA-N 1 3 267.373 1.315 20 5 CDBDHO CN1CC[C@@H]2C[N@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019057 927660144 /nfs/dbraw/zinc/66/01/44/927660144.db2.gz GNQJTLZKSCWAPS-CRWXNKLISA-N 1 3 267.373 1.315 20 5 CDBDHO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CN)C1CC1 ZINC000359910222 356441019 /nfs/dbraw/zinc/44/10/19/356441019.db2.gz ZKOGHOCJLGHLQV-CQSZACIVSA-N 1 3 279.340 1.643 20 5 CDBDHO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CN)C1CC1 ZINC000359910222 356441020 /nfs/dbraw/zinc/44/10/20/356441020.db2.gz ZKOGHOCJLGHLQV-CQSZACIVSA-N 1 3 279.340 1.643 20 5 CDBDHO CC(C)[C@](C)(C[NH3+])NCCOc1cccc([N+](=O)[O-])c1 ZINC000430589990 393101288 /nfs/dbraw/zinc/10/12/88/393101288.db2.gz JOPBGBTXZZQPJM-AWEZNQCLSA-N 1 3 281.356 1.937 20 5 CDBDHO C[C@@H](NCCOCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000219305007 140166623 /nfs/dbraw/zinc/16/66/23/140166623.db2.gz ZZHPWANHOMZFRG-GFCCVEGCSA-N 1 3 281.356 1.824 20 5 CDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)n1 ZINC000423184670 374372679 /nfs/dbraw/zinc/37/26/79/374372679.db2.gz MQXIRWSDRLNLBJ-QWHCGFSZSA-N 1 3 293.371 1.617 20 5 CDBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NC2CC[NH2+]CC2)n1 ZINC000423184670 374372688 /nfs/dbraw/zinc/37/26/88/374372688.db2.gz MQXIRWSDRLNLBJ-QWHCGFSZSA-N 1 3 293.371 1.617 20 5 CDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)N ZINC000423288586 392961301 /nfs/dbraw/zinc/96/13/01/392961301.db2.gz TUXCRCDULXIZOH-SNVBAGLBSA-N 1 3 294.355 1.639 20 5 CDBDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580602 279262268 /nfs/dbraw/zinc/26/22/68/279262268.db2.gz AEIMTPRJZZFPLZ-DOMZBBRYSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580602 279262269 /nfs/dbraw/zinc/26/22/69/279262269.db2.gz AEIMTPRJZZFPLZ-DOMZBBRYSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246302193 948091277 /nfs/dbraw/zinc/09/12/77/948091277.db2.gz WLNPYTXOFKYWPK-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]23CCCNC3)C1 ZINC001246613383 948346399 /nfs/dbraw/zinc/34/63/99/948346399.db2.gz YUPLQXTWMPYNLY-RDBSUJKOSA-N 1 3 267.373 1.650 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCC[C@]23CCCNC3)C1 ZINC001246613383 948346408 /nfs/dbraw/zinc/34/64/08/948346408.db2.gz YUPLQXTWMPYNLY-RDBSUJKOSA-N 1 3 267.373 1.650 20 5 CDBDHO O=[N+]([O-])c1ccc(CNCC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000414830351 370451348 /nfs/dbraw/zinc/45/13/48/370451348.db2.gz LWDMHXXHXDVLHH-JTQLQIEISA-N 1 3 267.304 1.823 20 5 CDBDHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000422793397 245261800 /nfs/dbraw/zinc/26/18/00/245261800.db2.gz SBPBXOXWNHXZAH-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422793397 245261803 /nfs/dbraw/zinc/26/18/03/245261803.db2.gz SBPBXOXWNHXZAH-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[NH2+]C[C@H](C)CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277641 374374680 /nfs/dbraw/zinc/37/46/80/374374680.db2.gz QEOMVVPMHQGSAL-AVGNSLFASA-N 1 3 295.387 1.720 20 5 CDBDHO CNC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277641 374374689 /nfs/dbraw/zinc/37/46/89/374374689.db2.gz QEOMVVPMHQGSAL-AVGNSLFASA-N 1 3 295.387 1.720 20 5 CDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(C)(C)C[NH3+] ZINC001173211146 912332292 /nfs/dbraw/zinc/33/22/92/912332292.db2.gz PVQLTLNCPOJUBP-SNVBAGLBSA-N 1 3 251.330 1.853 20 5 CDBDHO Cc1c(F)cnc(NC(=N)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168735466 921838733 /nfs/dbraw/zinc/83/87/33/921838733.db2.gz QCPCUDWWLFCULC-UHFFFAOYSA-N 1 3 296.306 1.031 20 5 CDBDHO COc1ccc(C[C@@H](C)NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246077987 947930353 /nfs/dbraw/zinc/93/03/53/947930353.db2.gz LUZWVIOWOLDXQS-LLVKDONJSA-N 1 3 293.367 1.876 20 5 CDBDHO COc1ccc(C[C@@H](C)[NH2+]C2CCNCC2)c([N+](=O)[O-])c1 ZINC001246077987 947930361 /nfs/dbraw/zinc/93/03/61/947930361.db2.gz LUZWVIOWOLDXQS-LLVKDONJSA-N 1 3 293.367 1.876 20 5 CDBDHO C[C@H]([NH3+])CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580677 342638043 /nfs/dbraw/zinc/63/80/43/342638043.db2.gz JOFHPQFOOAMKAU-AXFHLTTASA-N 1 3 267.333 1.212 20 5 CDBDHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215365 351322059 /nfs/dbraw/zinc/32/20/59/351322059.db2.gz FUCNLXHVACOWEU-CHWSQXEVSA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215365 351322066 /nfs/dbraw/zinc/32/20/66/351322066.db2.gz FUCNLXHVACOWEU-CHWSQXEVSA-N 1 3 263.341 1.997 20 5 CDBDHO [NH3+]CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430659698 393105556 /nfs/dbraw/zinc/10/55/56/393105556.db2.gz BNPGLWLNKMEICM-UHFFFAOYSA-N 1 3 279.340 1.644 20 5 CDBDHO COc1c([O-])ccc(C[NH2+]CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000892742786 617689359 /nfs/dbraw/zinc/68/93/59/617689359.db2.gz XRIBSFJQLRCJDH-UHFFFAOYSA-N 1 3 297.355 1.740 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1NC[C@H]1CCCC[NH2+]1)CNC2 ZINC001171335555 932764710 /nfs/dbraw/zinc/76/47/10/932764710.db2.gz XVQGMRYZIOODIC-GFCCVEGCSA-N 1 3 276.340 1.752 20 5 CDBDHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246117321 947968242 /nfs/dbraw/zinc/96/82/42/947968242.db2.gz ZJLVTBGKBDHSEE-KCPJHIHWSA-N 1 3 289.379 1.897 20 5 CDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H](C)[NH3+] ZINC000591580688 342637912 /nfs/dbraw/zinc/63/79/12/342637912.db2.gz JVVRLMZWWLWXHB-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO COc1cc(CN[C@@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415020134 391245066 /nfs/dbraw/zinc/24/50/66/391245066.db2.gz JFWJZHZWBHDPPT-JTQLQIEISA-N 1 3 297.355 1.829 20 5 CDBDHO CC[NH2+]CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430562267 393100549 /nfs/dbraw/zinc/10/05/49/393100549.db2.gz QCCSUZWDRZKNSA-UHFFFAOYSA-N 1 3 281.360 1.113 20 5 CDBDHO CN(C)CC(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158604476 1178225378 /nfs/dbraw/zinc/22/53/78/1178225378.db2.gz WHVAPFOJXXZHSQ-AWEZNQCLSA-N 1 3 295.383 1.806 20 5 CDBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@@H](C)C[NH3+])c1F ZINC001173184910 912280843 /nfs/dbraw/zinc/28/08/43/912280843.db2.gz SMGPJPFXDBBFTD-VHSXEESVSA-N 1 3 299.346 1.858 20 5 CDBDHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222652 912311050 /nfs/dbraw/zinc/31/10/50/912311050.db2.gz YLLUFOQZAGOSFV-QWRGUYRKSA-N 1 3 251.330 1.710 20 5 CDBDHO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H](N)CCC[NH3+] ZINC001170900479 930700970 /nfs/dbraw/zinc/70/09/70/930700970.db2.gz UWOIBMRPCNCRJG-LLVKDONJSA-N 1 3 266.345 1.956 20 5 CDBDHO N=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157093457 938452912 /nfs/dbraw/zinc/45/29/12/938452912.db2.gz BEGBVLBDXGKBKF-UHFFFAOYSA-N 1 3 286.723 1.318 20 5 CDBDHO C[NH+](C)CCCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161731012 938927622 /nfs/dbraw/zinc/92/76/22/938927622.db2.gz WNLVKSWUSMEMNT-UHFFFAOYSA-N 1 3 278.356 1.952 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254581664 947538655 /nfs/dbraw/zinc/53/86/55/947538655.db2.gz PXSYAIWYMOXDAL-IHRRRGAJSA-N 1 3 275.352 1.922 20 5 CDBDHO C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246097191 947948623 /nfs/dbraw/zinc/94/86/23/947948623.db2.gz GRSJENQBXDZIGP-SLEUVZQESA-N 1 3 289.379 1.897 20 5 CDBDHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000566481106 360451799 /nfs/dbraw/zinc/45/17/99/360451799.db2.gz FMWPMCBVGIMFDG-CHWSQXEVSA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000566481106 360451805 /nfs/dbraw/zinc/45/18/05/360451805.db2.gz FMWPMCBVGIMFDG-CHWSQXEVSA-N 1 3 263.341 1.997 20 5 CDBDHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573697738 294871004 /nfs/dbraw/zinc/87/10/04/294871004.db2.gz WJSSNYPHIUXNEA-VXGBXAGGSA-N 1 3 279.340 1.833 20 5 CDBDHO CN1CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977171 927562414 /nfs/dbraw/zinc/56/24/14/927562414.db2.gz IQYNTOBZRSMBPV-FRRDWIJNSA-N 1 3 255.362 1.506 20 5 CDBDHO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CCC[NH3+] ZINC000422712217 536955880 /nfs/dbraw/zinc/95/58/80/536955880.db2.gz HYXROSJKQJMMDP-JTQLQIEISA-N 1 3 267.329 1.820 20 5 CDBDHO COCCC1([NH3+])CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998188 1161997013 /nfs/dbraw/zinc/99/70/13/1161997013.db2.gz JJQZOIIONOQKDP-OLZOCXBDSA-N 1 3 285.388 1.262 20 5 CDBDHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169049005 927665333 /nfs/dbraw/zinc/66/53/33/927665333.db2.gz VRCFSHSXROKAKY-BYNSBNAKSA-N 1 3 281.400 1.705 20 5 CDBDHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169049005 927665345 /nfs/dbraw/zinc/66/53/45/927665345.db2.gz VRCFSHSXROKAKY-BYNSBNAKSA-N 1 3 281.400 1.705 20 5 CDBDHO C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246097193 947950167 /nfs/dbraw/zinc/95/01/67/947950167.db2.gz GRSJENQBXDZIGP-YWPYICTPSA-N 1 3 289.379 1.897 20 5 CDBDHO C[C@@H]([NH3+])CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591581404 342637867 /nfs/dbraw/zinc/63/78/67/342637867.db2.gz VIQVODOYOAFZEQ-MFKMUULPSA-N 1 3 263.341 1.853 20 5 CDBDHO CN(CCC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592473825 342698542 /nfs/dbraw/zinc/69/85/42/342698542.db2.gz PVYMTXZHDMRPDX-UHFFFAOYSA-N 1 3 280.328 1.204 20 5 CDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000602778736 344595091 /nfs/dbraw/zinc/59/50/91/344595091.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 1 3 295.387 1.373 20 5 CDBDHO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000602778736 344595092 /nfs/dbraw/zinc/59/50/92/344595092.db2.gz LAHIDWRAHIMWGJ-ZDUSSCGKSA-N 1 3 295.387 1.373 20 5 CDBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)N ZINC000414810053 241399677 /nfs/dbraw/zinc/39/96/77/241399677.db2.gz WNYQKMXKJZTVRV-JTQLQIEISA-N 1 3 294.355 1.639 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCCO1 ZINC000423496018 279381891 /nfs/dbraw/zinc/38/18/91/279381891.db2.gz VUSKVEXTIBPPNF-OCCSQVGLSA-N 1 3 293.367 1.494 20 5 CDBDHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000089150300 849886404 /nfs/dbraw/zinc/88/64/04/849886404.db2.gz YNKMARLOYQSVOY-JSGCOSHPSA-N 1 3 263.341 1.854 20 5 CDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168988944 927626758 /nfs/dbraw/zinc/62/67/58/927626758.db2.gz VGNGQKCSHIKWCZ-XJFOESAGSA-N 1 3 269.389 1.894 20 5 CDBDHO CN(C)CC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335882214 955079671 /nfs/dbraw/zinc/07/96/71/955079671.db2.gz TVOWYDKEINWQOF-AWEZNQCLSA-N 1 3 295.383 1.806 20 5 CDBDHO [NH3+]C[C@H](NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000420355219 244133242 /nfs/dbraw/zinc/13/32/42/244133242.db2.gz BWLFTOWZSBXOAC-ZDUSSCGKSA-N 1 3 281.360 1.289 20 5 CDBDHO O=[N+]([O-])c1cc(CNCC[C@@H]2CC[NH2+]C2)cs1 ZINC000414824832 370449688 /nfs/dbraw/zinc/44/96/88/370449688.db2.gz BFOWIUATNHDNRX-VIFPVBQESA-N 1 3 255.343 1.746 20 5 CDBDHO C[NH2+]CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423197892 374372537 /nfs/dbraw/zinc/37/25/37/374372537.db2.gz BVEUUJVRBPIQCR-NEPJUHHUSA-N 1 3 281.360 1.474 20 5 CDBDHO C[NH+](C)CCOCCNCc1cccc([N+](=O)[O-])c1 ZINC000231675888 140217867 /nfs/dbraw/zinc/21/78/67/140217867.db2.gz YRNZPRDZUUVAGY-UHFFFAOYSA-N 1 3 267.329 1.263 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CC1 ZINC000423286176 279382853 /nfs/dbraw/zinc/38/28/53/279382853.db2.gz ZTSJUMKNSHMAGU-ZWNOBZJWSA-N 1 3 263.341 1.853 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567860 947528772 /nfs/dbraw/zinc/52/87/72/947528772.db2.gz PXSYAIWYMOXDAL-BFHYXJOUSA-N 1 3 275.352 1.922 20 5 CDBDHO C[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327035 279297925 /nfs/dbraw/zinc/29/79/25/279297925.db2.gz NHIWLSXCJXKUGN-MXWKQRLJSA-N 1 3 267.333 1.212 20 5 CDBDHO C[C@H]([NH3+])CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423223580 289772318 /nfs/dbraw/zinc/77/23/18/289772318.db2.gz GQHALQTWPIPOAJ-SRVKXCTJSA-N 1 3 281.360 1.602 20 5 CDBDHO COc1ccc(C[C@@H](C)NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170317942 1162335747 /nfs/dbraw/zinc/33/57/47/1162335747.db2.gz MSYHQLNVQCYLBR-GHMZBOCLSA-N 1 3 281.356 1.719 20 5 CDBDHO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN)c([N+](=O)[O-])c1 ZINC001170317942 1162335750 /nfs/dbraw/zinc/33/57/50/1162335750.db2.gz MSYHQLNVQCYLBR-GHMZBOCLSA-N 1 3 281.356 1.719 20 5 CDBDHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962940 712147616 /nfs/dbraw/zinc/14/76/16/712147616.db2.gz PMOQJOWQSDBCHI-IUCAKERBSA-N 1 3 252.318 1.422 20 5 CDBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@](C)(O)CN(C)C ZINC000873094628 712405309 /nfs/dbraw/zinc/40/53/09/712405309.db2.gz LSLOJUNORNQZBR-HNNXBMFYSA-N 1 3 295.383 1.614 20 5 CDBDHO [NH3+]CC1(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172900360 912038918 /nfs/dbraw/zinc/03/89/18/912038918.db2.gz CXCZMHMIJGNSKA-CYBMUJFWSA-N 1 3 275.352 1.923 20 5 CDBDHO COCC1(CNCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414941720 241474117 /nfs/dbraw/zinc/47/41/17/241474117.db2.gz AZXCYLDAEUYMSO-UHFFFAOYSA-N 1 3 293.367 1.701 20 5 CDBDHO [NH3+]C1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000902412754 624737263 /nfs/dbraw/zinc/73/72/63/624737263.db2.gz CXWMYLPBFVBPKR-CYBMUJFWSA-N 1 3 275.352 1.997 20 5 CDBDHO C[N+](C)(C)CCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224624841 941777241 /nfs/dbraw/zinc/77/72/41/941777241.db2.gz ZVFQNOKPRKJPCG-WKILWMFISA-N 1 3 285.452 1.743 20 5 CDBDHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000591580686 342637916 /nfs/dbraw/zinc/63/79/16/342637916.db2.gz JVVRLMZWWLWXHB-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[NH2+]CCOCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000600729219 342245486 /nfs/dbraw/zinc/24/54/86/342245486.db2.gz SUAMLLXXTZHLIW-UHFFFAOYSA-N 1 3 281.356 1.305 20 5 CDBDHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000131576158 375291234 /nfs/dbraw/zinc/29/12/34/375291234.db2.gz PXTJVIOTSMQCNR-DGCLKSJQSA-N 1 3 263.341 1.806 20 5 CDBDHO [NH3+]C[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000415047886 391250995 /nfs/dbraw/zinc/25/09/95/391250995.db2.gz WNJXLNMYZJJBCO-KOLCDFICSA-N 1 3 267.304 1.951 20 5 CDBDHO [NH3+]C[C@@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000415047887 391251093 /nfs/dbraw/zinc/25/10/93/391251093.db2.gz WNJXLNMYZJJBCO-MWLCHTKSSA-N 1 3 267.304 1.951 20 5 CDBDHO C[C@H](C[NH3+])N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327038 278184454 /nfs/dbraw/zinc/18/44/54/278184454.db2.gz NHIWLSXCJXKUGN-OUAUKWLOSA-N 1 3 267.333 1.212 20 5 CDBDHO C[N@H+](C[C@H](O)CNCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148992 317085610 /nfs/dbraw/zinc/08/56/10/317085610.db2.gz CZZYKDDSSXFNFC-OAHLLOKOSA-N 1 3 293.367 1.182 20 5 CDBDHO C[N@@H+](C[C@H](O)CNCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576148992 317085612 /nfs/dbraw/zinc/08/56/12/317085612.db2.gz CZZYKDDSSXFNFC-OAHLLOKOSA-N 1 3 293.367 1.182 20 5 CDBDHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019063 927660077 /nfs/dbraw/zinc/66/00/77/927660077.db2.gz GNQJTLZKSCWAPS-YIYPIFLZSA-N 1 3 267.373 1.315 20 5 CDBDHO CN1CC[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019063 927660078 /nfs/dbraw/zinc/66/00/78/927660078.db2.gz GNQJTLZKSCWAPS-YIYPIFLZSA-N 1 3 267.373 1.315 20 5 CDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000423301024 392960169 /nfs/dbraw/zinc/96/01/69/392960169.db2.gz GQMJJLYRGANVTK-LLVKDONJSA-N 1 3 263.341 1.725 20 5 CDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CNC1 ZINC000423301024 392960174 /nfs/dbraw/zinc/96/01/74/392960174.db2.gz GQMJJLYRGANVTK-LLVKDONJSA-N 1 3 263.341 1.725 20 5 CDBDHO [NH3+]CCCN(CCn1cc([N+](=O)[O-])cn1)CC1CCCC1 ZINC000352496811 155227542 /nfs/dbraw/zinc/22/75/42/155227542.db2.gz ZXFYABNMKPMITN-UHFFFAOYSA-N 1 3 295.387 1.632 20 5 CDBDHO NC1CC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902974 912038600 /nfs/dbraw/zinc/03/86/00/912038600.db2.gz NXSHPPLPWIHJMX-ROKHWSDSSA-N 1 3 275.352 1.922 20 5 CDBDHO [NH3+][C@H](CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319655 374378106 /nfs/dbraw/zinc/37/81/06/374378106.db2.gz LUFYKNIKHKWHLH-UPJWGTAASA-N 1 3 293.371 1.602 20 5 CDBDHO CC1(C)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C[C@@H]1N ZINC000603435234 375566399 /nfs/dbraw/zinc/56/63/99/375566399.db2.gz WEEWHRHSCZILEM-QWHCGFSZSA-N 1 3 279.340 1.689 20 5 CDBDHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620786 317368876 /nfs/dbraw/zinc/36/88/76/317368876.db2.gz QZKONNVUTGJEAE-OLZOCXBDSA-N 1 3 265.313 1.443 20 5 CDBDHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC[N+](=O)[O-] ZINC000930169870 684179081 /nfs/dbraw/zinc/17/90/81/684179081.db2.gz LOZVCJONDHKBJE-UHFFFAOYSA-N 1 3 292.383 1.897 20 5 CDBDHO COc1cc(C[NH2+][C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1[O-] ZINC001579152711 1172107925 /nfs/dbraw/zinc/10/79/25/1172107925.db2.gz DCESWPYKTLDLPE-SNVBAGLBSA-N 1 3 297.355 1.916 20 5 CDBDHO C[C@@H](CCC[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591282150 342624320 /nfs/dbraw/zinc/62/43/20/342624320.db2.gz WGCHUMJCSHSTJK-JTQLQIEISA-N 1 3 295.339 1.583 20 5 CDBDHO C[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580678 342637882 /nfs/dbraw/zinc/63/78/82/342637882.db2.gz JOFHPQFOOAMKAU-DCAQKATOSA-N 1 3 267.333 1.212 20 5 CDBDHO C[C@H](C[C@H](C)[NH3+])NCCc1ccccc1[N+](=O)[O-] ZINC000422793399 245262791 /nfs/dbraw/zinc/26/27/91/245262791.db2.gz SBPBXOXWNHXZAH-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422793399 245262797 /nfs/dbraw/zinc/26/27/97/245262797.db2.gz SBPBXOXWNHXZAH-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO CC[C@H]([NH3+])CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423475138 374383142 /nfs/dbraw/zinc/38/31/42/374383142.db2.gz RPNBFVJXFDRPIQ-SRVKXCTJSA-N 1 3 281.360 1.602 20 5 CDBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)n1 ZINC000423184671 285169094 /nfs/dbraw/zinc/16/90/94/285169094.db2.gz MQXIRWSDRLNLBJ-STQMWFEESA-N 1 3 293.371 1.617 20 5 CDBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NC2CC[NH2+]CC2)n1 ZINC000423184671 285169099 /nfs/dbraw/zinc/16/90/99/285169099.db2.gz MQXIRWSDRLNLBJ-STQMWFEESA-N 1 3 293.371 1.617 20 5 CDBDHO [NH3+]C[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000415047884 391251010 /nfs/dbraw/zinc/25/10/10/391251010.db2.gz WNJXLNMYZJJBCO-GXSJLCMTSA-N 1 3 267.304 1.951 20 5 CDBDHO NC1(C[NH2+]CCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000342128127 130287435 /nfs/dbraw/zinc/28/74/35/130287435.db2.gz GEIKBFGTJHNPSW-UHFFFAOYSA-N 1 3 265.313 1.445 20 5 CDBDHO CCN(CC)CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168957824 927579238 /nfs/dbraw/zinc/57/92/38/927579238.db2.gz JCMJYGCNEBIARD-QWHCGFSZSA-N 1 3 257.378 1.753 20 5 CDBDHO C[C@@H]([NH3+])CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591581405 342637938 /nfs/dbraw/zinc/63/79/38/342637938.db2.gz VIQVODOYOAFZEQ-ZWNOBZJWSA-N 1 3 263.341 1.853 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215364 351322365 /nfs/dbraw/zinc/32/23/65/351322365.db2.gz FUCNLXHVACOWEU-STQMWFEESA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215364 351322368 /nfs/dbraw/zinc/32/23/68/351322368.db2.gz FUCNLXHVACOWEU-STQMWFEESA-N 1 3 263.341 1.997 20 5 CDBDHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562960002 293226159 /nfs/dbraw/zinc/22/61/59/293226159.db2.gz FEMYQHZXVDHQKZ-SMDDNHRTSA-N 1 3 279.340 1.691 20 5 CDBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000886840110 693960053 /nfs/dbraw/zinc/96/00/53/693960053.db2.gz TUFAYZLQDNXCHB-OLZOCXBDSA-N 1 3 290.367 1.811 20 5 CDBDHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251504 356110480 /nfs/dbraw/zinc/11/04/80/356110480.db2.gz RMPQDPDNFNSZKH-DGCLKSJQSA-N 1 3 263.341 1.806 20 5 CDBDHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562959999 293226202 /nfs/dbraw/zinc/22/62/02/293226202.db2.gz FEMYQHZXVDHQKZ-BXUZGUMPSA-N 1 3 279.340 1.691 20 5 CDBDHO [NH3+][C@@H]1COC[C@H]1N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899829 912038975 /nfs/dbraw/zinc/03/89/75/912038975.db2.gz CZWLELZCEOHCDQ-NWANDNLSSA-N 1 3 291.351 1.158 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@H]1CC13C[NH2+]C3)CC2 ZINC001246445286 948176017 /nfs/dbraw/zinc/17/60/17/948176017.db2.gz NSSOBKOSFOSHDH-UKRRQHHQSA-N 1 3 287.363 1.794 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246445286 948176019 /nfs/dbraw/zinc/17/60/19/948176019.db2.gz NSSOBKOSFOSHDH-UKRRQHHQSA-N 1 3 287.363 1.794 20 5 CDBDHO C[NH2+][C@H](C)CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC001345484643 964721995 /nfs/dbraw/zinc/72/19/95/964721995.db2.gz YPOYKWNNESZHKE-FRRDWIJNSA-N 1 3 295.387 1.863 20 5 CDBDHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215368 345679920 /nfs/dbraw/zinc/67/99/20/345679920.db2.gz FUCNLXHVACOWEU-OLZOCXBDSA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215368 345679923 /nfs/dbraw/zinc/67/99/23/345679923.db2.gz FUCNLXHVACOWEU-OLZOCXBDSA-N 1 3 263.341 1.997 20 5 CDBDHO O=[N+]([O-])c1ccc(CNCC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000414830355 370451605 /nfs/dbraw/zinc/45/16/05/370451605.db2.gz LWDMHXXHXDVLHH-SNVBAGLBSA-N 1 3 267.304 1.823 20 5 CDBDHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423266951 392960675 /nfs/dbraw/zinc/96/06/75/392960675.db2.gz DMFLILYSRDLDCP-VXGBXAGGSA-N 1 3 265.357 1.971 20 5 CDBDHO C[C@H]([NH3+])CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423223578 289772298 /nfs/dbraw/zinc/77/22/98/289772298.db2.gz GQHALQTWPIPOAJ-QJPTWQEYSA-N 1 3 281.360 1.602 20 5 CDBDHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876946 368615181 /nfs/dbraw/zinc/61/51/81/368615181.db2.gz MAJMTBIBEIWKEI-GHMZBOCLSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414876946 368615186 /nfs/dbraw/zinc/61/51/86/368615186.db2.gz MAJMTBIBEIWKEI-GHMZBOCLSA-N 1 3 294.355 1.496 20 5 CDBDHO C[NH2+]CCCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423201282 397602195 /nfs/dbraw/zinc/60/21/95/397602195.db2.gz OKKKLHXRAMVACQ-NSHDSACASA-N 1 3 251.330 1.725 20 5 CDBDHO CN1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622345 1178224847 /nfs/dbraw/zinc/22/48/47/1178224847.db2.gz BRXAPZKLNGDEDF-RISCZKNCSA-N 1 3 279.340 1.170 20 5 CDBDHO C[N@H+]1CC=C(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271874922 191382738 /nfs/dbraw/zinc/38/27/38/191382738.db2.gz YVHVTJHXOAJPSE-UHFFFAOYSA-N 1 3 261.325 1.946 20 5 CDBDHO C[N@@H+]1CC=C(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271874922 191382741 /nfs/dbraw/zinc/38/27/41/191382741.db2.gz YVHVTJHXOAJPSE-UHFFFAOYSA-N 1 3 261.325 1.946 20 5 CDBDHO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000036301538 361486144 /nfs/dbraw/zinc/48/61/44/361486144.db2.gz PIYWJRGPBXRAKC-UHFFFAOYSA-N 1 3 263.341 1.821 20 5 CDBDHO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1 ZINC000036301538 361486147 /nfs/dbraw/zinc/48/61/47/361486147.db2.gz PIYWJRGPBXRAKC-UHFFFAOYSA-N 1 3 263.341 1.821 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000420312446 285142125 /nfs/dbraw/zinc/14/21/25/285142125.db2.gz XAMLPWYOEQIRAL-GFCCVEGCSA-N 1 3 275.352 1.953 20 5 CDBDHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000415038334 391248693 /nfs/dbraw/zinc/24/86/93/391248693.db2.gz NCODCBWGQPLBFA-PSASIEDQSA-N 1 3 255.343 1.873 20 5 CDBDHO C[C@H](C[NH3+])N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423327011 392962988 /nfs/dbraw/zinc/96/29/88/392962988.db2.gz NHIWLSXCJXKUGN-GMTAPVOTSA-N 1 3 267.333 1.212 20 5 CDBDHO C[NH+](C)CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176248725 148032561 /nfs/dbraw/zinc/03/25/61/148032561.db2.gz ZTUAJFOWCQHVAC-UHFFFAOYSA-N 1 3 295.387 1.455 20 5 CDBDHO C[C@@H](C[NH3+])N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368530 278251076 /nfs/dbraw/zinc/25/10/76/278251076.db2.gz NHIWLSXCJXKUGN-DCAQKATOSA-N 1 3 267.333 1.212 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])C1CC1 ZINC000423286175 279382227 /nfs/dbraw/zinc/38/22/27/279382227.db2.gz ZTSJUMKNSHMAGU-MFKMUULPSA-N 1 3 263.341 1.853 20 5 CDBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H](C)C[NH3+])c1F ZINC001173184911 912282113 /nfs/dbraw/zinc/28/21/13/912282113.db2.gz SMGPJPFXDBBFTD-ZJUUUORDSA-N 1 3 299.346 1.858 20 5 CDBDHO C[NH2+][C@H](C)CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC001345484645 964721479 /nfs/dbraw/zinc/72/14/79/964721479.db2.gz YPOYKWNNESZHKE-JHJVBQTASA-N 1 3 295.387 1.863 20 5 CDBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCOCC[NH3+] ZINC000600742281 342246969 /nfs/dbraw/zinc/24/69/69/342246969.db2.gz SYIQKZQHQBSCPM-GFCCVEGCSA-N 1 3 281.356 1.871 20 5 CDBDHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414825979 367023996 /nfs/dbraw/zinc/02/39/96/367023996.db2.gz UWUYGVYNOSZZMB-QWRGUYRKSA-N 1 3 294.355 1.639 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420312450 285142099 /nfs/dbraw/zinc/14/20/99/285142099.db2.gz XAMLPWYOEQIRAL-LBPRGKRZSA-N 1 3 275.352 1.953 20 5 CDBDHO C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277643 277031337 /nfs/dbraw/zinc/03/13/37/277031337.db2.gz QEOMVVPMHQGSAL-XQQFMLRXSA-N 1 3 295.387 1.720 20 5 CDBDHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277643 277031340 /nfs/dbraw/zinc/03/13/40/277031340.db2.gz QEOMVVPMHQGSAL-XQQFMLRXSA-N 1 3 295.387 1.720 20 5 CDBDHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019061 927661163 /nfs/dbraw/zinc/66/11/63/927661163.db2.gz GNQJTLZKSCWAPS-RFQIPJPRSA-N 1 3 267.373 1.315 20 5 CDBDHO CN1CC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169019061 927661169 /nfs/dbraw/zinc/66/11/69/927661169.db2.gz GNQJTLZKSCWAPS-RFQIPJPRSA-N 1 3 267.373 1.315 20 5 CDBDHO C[NH+](C)CCCNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001120466928 937800758 /nfs/dbraw/zinc/80/07/58/937800758.db2.gz GJRUVMXMEWUTLW-UHFFFAOYSA-N 1 3 294.355 1.465 20 5 CDBDHO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC001120488457 937802885 /nfs/dbraw/zinc/80/28/85/937802885.db2.gz BLHNWOZNLFEMOY-SMDDNHRTSA-N 1 3 281.356 1.416 20 5 CDBDHO [NH3+][C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549249 948255282 /nfs/dbraw/zinc/25/52/82/948255282.db2.gz WGWXGDVDJGLLTR-UKRRQHHQSA-N 1 3 275.352 1.875 20 5 CDBDHO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000359875195 356429298 /nfs/dbraw/zinc/42/92/98/356429298.db2.gz JZRDNCMKEQAYRG-AWEZNQCLSA-N 1 3 279.340 1.643 20 5 CDBDHO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CN)C1CC1 ZINC000359875195 356429301 /nfs/dbraw/zinc/42/93/01/356429301.db2.gz JZRDNCMKEQAYRG-AWEZNQCLSA-N 1 3 279.340 1.643 20 5 CDBDHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571157599 294378043 /nfs/dbraw/zinc/37/80/43/294378043.db2.gz PKDSNZRVABWZMR-MNOVXSKESA-N 1 3 267.329 1.689 20 5 CDBDHO Cc1ccc([C@H](C)NCCOCC[NH3+])cc1[N+](=O)[O-] ZINC000420409167 244211957 /nfs/dbraw/zinc/21/19/57/244211957.db2.gz QGDDVSQHKSROLY-NSHDSACASA-N 1 3 267.329 1.529 20 5 CDBDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266773112 375669128 /nfs/dbraw/zinc/66/91/28/375669128.db2.gz KJQYVMHFGYFBCV-GFCCVEGCSA-N 1 3 293.367 1.702 20 5 CDBDHO C[C@@H](C[NH3+])N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368531 392962725 /nfs/dbraw/zinc/96/27/25/392962725.db2.gz NHIWLSXCJXKUGN-GARJFASQSA-N 1 3 267.333 1.212 20 5 CDBDHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423200486 397602391 /nfs/dbraw/zinc/60/23/91/397602391.db2.gz FVDULVXVZUPBPW-GFCCVEGCSA-N 1 3 278.356 1.151 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC[NH2+]C1 ZINC000423327133 274498793 /nfs/dbraw/zinc/49/87/93/274498793.db2.gz CXHVDFYHJZCUMO-NEPJUHHUSA-N 1 3 263.341 1.725 20 5 CDBDHO CC[NH2+]CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000562956065 293225528 /nfs/dbraw/zinc/22/55/28/293225528.db2.gz BVTSFLSIKAHPGT-QWHCGFSZSA-N 1 3 295.387 1.864 20 5 CDBDHO C[N+](C)(C)CCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224775098 910700378 /nfs/dbraw/zinc/70/03/78/910700378.db2.gz ILSHSYVLMGWGEX-SHTZXODSSA-N 1 3 271.425 1.353 20 5 CDBDHO C[NH2+][C@H](C)CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC001345484647 964722068 /nfs/dbraw/zinc/72/20/68/964722068.db2.gz YPOYKWNNESZHKE-UPJWGTAASA-N 1 3 295.387 1.863 20 5 CDBDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580604 279262232 /nfs/dbraw/zinc/26/22/32/279262232.db2.gz AEIMTPRJZZFPLZ-WFASDCNBSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580604 279262233 /nfs/dbraw/zinc/26/22/33/279262233.db2.gz AEIMTPRJZZFPLZ-WFASDCNBSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1 ZINC001576622187 1171469557 /nfs/dbraw/zinc/46/95/57/1171469557.db2.gz AVOGEEOXWKJLQY-DMOGRIERSA-N 1 3 279.344 1.225 20 5 CDBDHO O=[N+]([O-])c1ccc(CNCCCN2CC[NH2+]CC2)c(F)c1 ZINC000414783723 241384106 /nfs/dbraw/zinc/38/41/06/241384106.db2.gz RCNZKJTXOMARLQ-UHFFFAOYSA-N 1 3 296.346 1.119 20 5 CDBDHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000577620787 317368666 /nfs/dbraw/zinc/36/86/66/317368666.db2.gz QZKONNVUTGJEAE-QWHCGFSZSA-N 1 3 265.313 1.443 20 5 CDBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C[NH3+] ZINC000414942696 371136887 /nfs/dbraw/zinc/13/68/87/371136887.db2.gz KNIXSEGTYGEBOJ-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423174340 245634225 /nfs/dbraw/zinc/63/42/25/245634225.db2.gz AKPLNSRZGMPHQC-ZDUSSCGKSA-N 1 3 292.383 1.541 20 5 CDBDHO CCNCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423241165 276266640 /nfs/dbraw/zinc/26/66/40/276266640.db2.gz UQIIUWQKGQTMIC-NSHDSACASA-N 1 3 251.330 1.725 20 5 CDBDHO [NH3+]C1(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406562 624732172 /nfs/dbraw/zinc/73/21/72/624732172.db2.gz NYXLZUGNLVNGSL-QWRGUYRKSA-N 1 3 279.344 1.356 20 5 CDBDHO C[C@H]1[NH2+]CC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162677813 939113072 /nfs/dbraw/zinc/11/30/72/939113072.db2.gz QNUBKZAHOKVAGV-LDYMZIIASA-N 1 3 262.313 1.360 20 5 CDBDHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423200487 397602320 /nfs/dbraw/zinc/60/23/20/397602320.db2.gz FVDULVXVZUPBPW-LBPRGKRZSA-N 1 3 278.356 1.151 20 5 CDBDHO COc1ccc(C[C@H](C)NC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170297692 1162327975 /nfs/dbraw/zinc/32/79/75/1162327975.db2.gz QSQUTVFNKUUUJE-JTQLQIEISA-N 1 3 281.356 1.861 20 5 CDBDHO NC1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469714 947451629 /nfs/dbraw/zinc/45/16/29/947451629.db2.gz YDYUMUZSPCVNIG-UHFFFAOYSA-N 1 3 290.367 1.643 20 5 CDBDHO [NH3+]C1CC(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254469714 947451638 /nfs/dbraw/zinc/45/16/38/947451638.db2.gz YDYUMUZSPCVNIG-UHFFFAOYSA-N 1 3 290.367 1.643 20 5 CDBDHO Cc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1[N+](=O)[O-] ZINC000077450612 342330469 /nfs/dbraw/zinc/33/04/69/342330469.db2.gz PYBBVWURPBWVNU-UHFFFAOYSA-N 1 3 293.367 1.450 20 5 CDBDHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422783325 245252016 /nfs/dbraw/zinc/25/20/16/245252016.db2.gz HGHOMDQMRHVUDB-QWHCGFSZSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422783325 245252022 /nfs/dbraw/zinc/25/20/22/245252022.db2.gz HGHOMDQMRHVUDB-QWHCGFSZSA-N 1 3 263.341 1.854 20 5 CDBDHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423266949 392960230 /nfs/dbraw/zinc/96/02/30/392960230.db2.gz DMFLILYSRDLDCP-RYUDHWBXSA-N 1 3 265.357 1.971 20 5 CDBDHO CC(C)[C@](C)(C[NH3+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000430573844 393100675 /nfs/dbraw/zinc/10/06/75/393100675.db2.gz MWCVNLYSSMBOLS-AWEZNQCLSA-N 1 3 281.356 1.937 20 5 CDBDHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430936067 393105505 /nfs/dbraw/zinc/10/55/05/393105505.db2.gz WSVBDLONYTYCEW-LLVKDONJSA-N 1 3 292.339 1.204 20 5 CDBDHO CC[NH2+]CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000562956067 293225693 /nfs/dbraw/zinc/22/56/93/293225693.db2.gz BVTSFLSIKAHPGT-STQMWFEESA-N 1 3 295.387 1.864 20 5 CDBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@](C)(O)CN(C)C ZINC000873094635 753882120 /nfs/dbraw/zinc/88/21/20/753882120.db2.gz LSLOJUNORNQZBR-OAHLLOKOSA-N 1 3 295.383 1.614 20 5 CDBDHO N=C(NCCCC[NH3+])Nc1cnc(Cl)cc1[N+](=O)[O-] ZINC001167880659 901625886 /nfs/dbraw/zinc/62/58/86/901625886.db2.gz UNWSYXVNZNKWTK-UHFFFAOYSA-N 1 3 286.723 1.318 20 5 CDBDHO C[N+](C)(C)CCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224621711 941777122 /nfs/dbraw/zinc/77/71/22/941777122.db2.gz ZVFQNOKPRKJPCG-IYBDPMFKSA-N 1 3 285.452 1.743 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@H]1CC13C[NH2+]C3)CC2 ZINC001246445284 948176674 /nfs/dbraw/zinc/17/66/74/948176674.db2.gz NSSOBKOSFOSHDH-DZGCQCFKSA-N 1 3 287.363 1.794 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246445284 948176680 /nfs/dbraw/zinc/17/66/80/948176680.db2.gz NSSOBKOSFOSHDH-DZGCQCFKSA-N 1 3 287.363 1.794 20 5 CDBDHO C[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580680 342637935 /nfs/dbraw/zinc/63/79/35/342637935.db2.gz JOFHPQFOOAMKAU-HBNTYKKESA-N 1 3 267.333 1.212 20 5 CDBDHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000603435283 344808765 /nfs/dbraw/zinc/80/87/65/344808765.db2.gz XIHCSWHEDWPNQK-OLZOCXBDSA-N 1 3 279.340 1.689 20 5 CDBDHO CN(C1CC1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039922 927653224 /nfs/dbraw/zinc/65/32/24/927653224.db2.gz VVMHGVXYAOJIML-DOMZBBRYSA-N 1 3 281.400 1.990 20 5 CDBDHO C[C@@H]1CC[C@H](CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106491 947957370 /nfs/dbraw/zinc/95/73/70/947957370.db2.gz QCYJPAKSNRCRQV-MROQNXINSA-N 1 3 255.362 1.410 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246199519 948024202 /nfs/dbraw/zinc/02/42/02/948024202.db2.gz MGCZZAOVHCJSCD-FZMZJTMJSA-N 1 3 275.352 1.651 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000423195593 374372263 /nfs/dbraw/zinc/37/22/63/374372263.db2.gz ZOSSZCCJNSOPNC-LLVKDONJSA-N 1 3 263.341 1.867 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCNCC1 ZINC000423195593 374372271 /nfs/dbraw/zinc/37/22/71/374372271.db2.gz ZOSSZCCJNSOPNC-LLVKDONJSA-N 1 3 263.341 1.867 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC000261869986 285142072 /nfs/dbraw/zinc/14/20/72/285142072.db2.gz XGJHQCFDVRGOLX-UHFFFAOYSA-N 1 3 275.352 1.953 20 5 CDBDHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817962939 930647126 /nfs/dbraw/zinc/64/71/26/930647126.db2.gz PMOQJOWQSDBCHI-DTWKUNHWSA-N 1 3 252.318 1.422 20 5 CDBDHO CC[NH2+]CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000430556643 393101040 /nfs/dbraw/zinc/10/10/40/393101040.db2.gz LFHUPHGKYOBXOD-UHFFFAOYSA-N 1 3 281.360 1.113 20 5 CDBDHO CN1CCC[C@@H](C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176246550 148032287 /nfs/dbraw/zinc/03/22/87/148032287.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 1 3 281.360 1.065 20 5 CDBDHO CN1CCC[C@@H](C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176246550 148032290 /nfs/dbraw/zinc/03/22/90/148032290.db2.gz QQQUHSRCULOJKQ-GFCCVEGCSA-N 1 3 281.360 1.065 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([NH+]3CCC3)CC2)C1 ZINC001169052551 927669528 /nfs/dbraw/zinc/66/95/28/927669528.db2.gz HEJGJPQYISKVFO-OCCSQVGLSA-N 1 3 267.373 1.602 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1NCC[C@H]1CCC[NH2+]1)CNC2 ZINC001169568200 928183847 /nfs/dbraw/zinc/18/38/47/928183847.db2.gz UCKACPMPHDDQCZ-GFCCVEGCSA-N 1 3 276.340 1.752 20 5 CDBDHO CCOc1nc(NC(=N)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001157099225 938453856 /nfs/dbraw/zinc/45/38/56/938453856.db2.gz LOWQABNGGARGEM-UHFFFAOYSA-N 1 3 296.331 1.064 20 5 CDBDHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000603430546 344803015 /nfs/dbraw/zinc/80/30/15/344803015.db2.gz ADZZMXGRHPYLIQ-STQMWFEESA-N 1 3 279.340 1.689 20 5 CDBDHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422736279 245194326 /nfs/dbraw/zinc/19/43/26/245194326.db2.gz GFSQZUGYQYYHHV-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422736279 245194333 /nfs/dbraw/zinc/19/43/33/245194333.db2.gz GFSQZUGYQYYHHV-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](C[NH3+])N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423375664 392961813 /nfs/dbraw/zinc/96/18/13/392961813.db2.gz UPIJGKQEYAGNMB-GXFFZTMASA-N 1 3 263.341 1.853 20 5 CDBDHO C[NH+](C)CCCNCCc1ccc([N+](=O)[O-])cc1 ZINC000035677642 172348551 /nfs/dbraw/zinc/34/85/51/172348551.db2.gz KJJIKGUXIXYNQA-UHFFFAOYSA-N 1 3 251.330 1.679 20 5 CDBDHO O=[N+]([O-])c1ncccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000886837068 784842911 /nfs/dbraw/zinc/84/29/11/784842911.db2.gz ASRBGWBJOCVOEK-UHFFFAOYSA-N 1 3 276.340 1.565 20 5 CDBDHO C[C@H]1NCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596660 787871651 /nfs/dbraw/zinc/87/16/51/787871651.db2.gz KSPGGWLGQNESFH-RISCZKNCSA-N 1 3 279.340 1.704 20 5 CDBDHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000089150297 795380225 /nfs/dbraw/zinc/38/02/25/795380225.db2.gz YNKMARLOYQSVOY-TZMCWYRMSA-N 1 3 263.341 1.854 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1N[C@H]1C[NH2+]CC[C@H]1F)CNC2 ZINC001168227212 907942239 /nfs/dbraw/zinc/94/22/39/907942239.db2.gz XLYXKVWZYDSEHI-PWSUYJOCSA-N 1 3 280.303 1.310 20 5 CDBDHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000603435282 344808702 /nfs/dbraw/zinc/80/87/02/344808702.db2.gz XIHCSWHEDWPNQK-CHWSQXEVSA-N 1 3 279.340 1.689 20 5 CDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)(C[NH3+])CC1 ZINC000420400216 374296299 /nfs/dbraw/zinc/29/62/99/374296299.db2.gz DHWFIYFJXFUSDP-LBPRGKRZSA-N 1 3 293.367 1.750 20 5 CDBDHO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000600721566 375368892 /nfs/dbraw/zinc/36/88/92/375368892.db2.gz BKAKRMJKJOTCEV-CQSZACIVSA-N 1 3 293.367 1.184 20 5 CDBDHO COc1cc(CN[C@H](C)CCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415020136 391245228 /nfs/dbraw/zinc/24/52/28/391245228.db2.gz JFWJZHZWBHDPPT-SNVBAGLBSA-N 1 3 297.355 1.829 20 5 CDBDHO Cc1c([C@@H](C)NCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423207111 397602875 /nfs/dbraw/zinc/60/28/75/397602875.db2.gz RACFTTPEWXVOCL-CYBMUJFWSA-N 1 3 292.383 1.459 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC[C@H](C)[NH3+] ZINC000423227264 279382072 /nfs/dbraw/zinc/38/20/72/279382072.db2.gz VCRRFDQJTLWPOC-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)N ZINC000423227264 279382074 /nfs/dbraw/zinc/38/20/74/279382074.db2.gz VCRRFDQJTLWPOC-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO CN1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000158622565 1178225418 /nfs/dbraw/zinc/22/54/18/1178225418.db2.gz BRXAPZKLNGDEDF-FZMZJTMJSA-N 1 3 279.340 1.170 20 5 CDBDHO CN1CCc2c(N[C@@H](N)CCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001170903857 930715869 /nfs/dbraw/zinc/71/58/69/930715869.db2.gz LZSBUBVNNZSNOK-CQSZACIVSA-N 1 3 293.371 1.018 20 5 CDBDHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000564826537 365527151 /nfs/dbraw/zinc/52/71/51/365527151.db2.gz SCEBHRXWHMWSLE-IUODEOHRSA-N 1 3 293.367 1.951 20 5 CDBDHO C[C@H](C[NH3+])N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414926431 371107505 /nfs/dbraw/zinc/10/75/05/371107505.db2.gz KNIXSEGTYGEBOJ-WDEREUQCSA-N 1 3 251.330 1.853 20 5 CDBDHO C[NH+](C)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000331012850 374879248 /nfs/dbraw/zinc/87/92/48/374879248.db2.gz SULNHNJREULBNH-UHFFFAOYSA-N 1 3 281.360 1.065 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001059 927606407 /nfs/dbraw/zinc/60/64/07/927606407.db2.gz CQYRCZVEONCGBT-MAZHCROVSA-N 1 3 289.379 1.817 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001059 927606413 /nfs/dbraw/zinc/60/64/13/927606413.db2.gz CQYRCZVEONCGBT-MAZHCROVSA-N 1 3 289.379 1.817 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001162399693 939045398 /nfs/dbraw/zinc/04/53/98/939045398.db2.gz CRQYLNIVGHCXKJ-RYUDHWBXSA-N 1 3 276.340 1.880 20 5 CDBDHO NC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001246084238 947934854 /nfs/dbraw/zinc/93/48/54/947934854.db2.gz PNIGKIKWWSZPAL-ZDUSSCGKSA-N 1 3 275.352 1.923 20 5 CDBDHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423209786 397603041 /nfs/dbraw/zinc/60/30/41/397603041.db2.gz VQFIJGYOBUKOPS-LBPRGKRZSA-N 1 3 278.356 1.151 20 5 CDBDHO C[C@@H]([NH3+])C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923284152 828399395 /nfs/dbraw/zinc/39/93/95/828399395.db2.gz IJVWXSAKQFMRBI-ABAIWWIYSA-N 1 3 293.367 1.687 20 5 CDBDHO C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246097190 947948766 /nfs/dbraw/zinc/94/87/66/947948766.db2.gz GRSJENQBXDZIGP-HUBLWGQQSA-N 1 3 289.379 1.897 20 5 CDBDHO COCCC1([NH3+])CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998189 1161996666 /nfs/dbraw/zinc/99/66/66/1161996666.db2.gz JJQZOIIONOQKDP-QWHCGFSZSA-N 1 3 285.388 1.262 20 5 CDBDHO [NH3+][C@H]1C[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001334775466 959350703 /nfs/dbraw/zinc/35/07/03/959350703.db2.gz YPOZWUNPYBIDRT-GSJFWJNXSA-N 1 3 261.325 1.690 20 5 CDBDHO O=[N+]([O-])c1ccc(CN[C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000591281651 342624270 /nfs/dbraw/zinc/62/42/70/342624270.db2.gz IJEXPJHMGNVNDS-CYBMUJFWSA-N 1 3 279.315 1.966 20 5 CDBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCC[NH3+] ZINC000592473647 342698561 /nfs/dbraw/zinc/69/85/61/342698561.db2.gz LLIKLQYLAHTZBR-UHFFFAOYSA-N 1 3 294.355 1.512 20 5 CDBDHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000603430542 344802839 /nfs/dbraw/zinc/80/28/39/344802839.db2.gz ADZZMXGRHPYLIQ-OLZOCXBDSA-N 1 3 279.340 1.689 20 5 CDBDHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011797 374367170 /nfs/dbraw/zinc/36/71/70/374367170.db2.gz JJQMYKORAGYLRY-JSGCOSHPSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011797 374367176 /nfs/dbraw/zinc/36/71/76/374367176.db2.gz JJQMYKORAGYLRY-JSGCOSHPSA-N 1 3 263.341 1.854 20 5 CDBDHO C[NH2+]CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423197893 374372624 /nfs/dbraw/zinc/37/26/24/374372624.db2.gz BVEUUJVRBPIQCR-NWDGAFQWSA-N 1 3 281.360 1.474 20 5 CDBDHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338209 374377383 /nfs/dbraw/zinc/37/73/83/374377383.db2.gz VTXOSEUXWOOCDY-NEPJUHHUSA-N 1 3 293.371 1.746 20 5 CDBDHO [NH3+]C[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000415038337 391248711 /nfs/dbraw/zinc/24/87/11/391248711.db2.gz NCODCBWGQPLBFA-WPRPVWTQSA-N 1 3 255.343 1.873 20 5 CDBDHO CC(C)([NH3+])CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282970 392960750 /nfs/dbraw/zinc/96/07/50/392960750.db2.gz DQCARVNFSBOIIR-QWRGUYRKSA-N 1 3 281.360 1.602 20 5 CDBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001169008215 927614697 /nfs/dbraw/zinc/61/46/97/927614697.db2.gz SCQUZCYCXIWIDL-DZGCQCFKSA-N 1 3 290.367 1.649 20 5 CDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H](C)C[NH3+] ZINC000414876949 370965997 /nfs/dbraw/zinc/96/59/97/370965997.db2.gz MAJMTBIBEIWKEI-WDEREUQCSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)CN ZINC000414876949 370966000 /nfs/dbraw/zinc/96/60/00/370966000.db2.gz MAJMTBIBEIWKEI-WDEREUQCSA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222651 912310460 /nfs/dbraw/zinc/31/04/60/912310460.db2.gz YLLUFOQZAGOSFV-MNOVXSKESA-N 1 3 251.330 1.710 20 5 CDBDHO CN(C)CCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601086 947549375 /nfs/dbraw/zinc/54/93/75/947549375.db2.gz YYMKKFKMNYKCJY-OAHLLOKOSA-N 1 3 277.368 1.946 20 5 CDBDHO CN(C)CCC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601086 947549379 /nfs/dbraw/zinc/54/93/79/947549379.db2.gz YYMKKFKMNYKCJY-OAHLLOKOSA-N 1 3 277.368 1.946 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215360 351322402 /nfs/dbraw/zinc/32/24/02/351322402.db2.gz FUCNLXHVACOWEU-QWHCGFSZSA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093215360 351322408 /nfs/dbraw/zinc/32/24/08/351322408.db2.gz FUCNLXHVACOWEU-QWHCGFSZSA-N 1 3 263.341 1.997 20 5 CDBDHO CC(COC(=O)C12CCC[NH+](CCC1)C2)[N+](=O)[O-] ZINC000893045590 618093772 /nfs/dbraw/zinc/09/37/72/618093772.db2.gz YHIVNDYFGORKPY-SNVBAGLBSA-N 1 3 256.302 1.071 20 5 CDBDHO COc1c([O-])ccc(C[NH2+]CCCC[NH3+])c1[N+](=O)[O-] ZINC001579136187 1172104044 /nfs/dbraw/zinc/10/40/44/1172104044.db2.gz DLXSGNNNIAIQKU-UHFFFAOYSA-N 1 3 269.301 1.138 20 5 CDBDHO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CN(C)C ZINC000312500733 1186698875 /nfs/dbraw/zinc/69/88/75/1186698875.db2.gz LOUNMXVSAFDMDX-FZMZJTMJSA-N 1 3 281.356 1.416 20 5 CDBDHO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC001120488454 937802813 /nfs/dbraw/zinc/80/28/13/937802813.db2.gz BLHNWOZNLFEMOY-BXUZGUMPSA-N 1 3 281.356 1.416 20 5 CDBDHO Cc1c(NC(=O)CCN(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000592473604 342698664 /nfs/dbraw/zinc/69/86/64/342698664.db2.gz FSELLJRUFFLKNA-UHFFFAOYSA-N 1 3 294.355 1.512 20 5 CDBDHO COc1cc(C[NH2+]C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1[O-] ZINC001579153201 1172108923 /nfs/dbraw/zinc/10/89/23/1172108923.db2.gz STRCZTNSTUMYGH-UHFFFAOYSA-N 1 3 295.339 1.669 20 5 CDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)CN ZINC001173222653 912312638 /nfs/dbraw/zinc/31/26/38/912312638.db2.gz YLLUFOQZAGOSFV-WDEREUQCSA-N 1 3 251.330 1.710 20 5 CDBDHO C[NH+]1CCC(NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038079435 346377548 /nfs/dbraw/zinc/37/75/48/346377548.db2.gz ILDHTJGEQVRCJQ-UHFFFAOYSA-N 1 3 279.340 1.657 20 5 CDBDHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571157601 294377787 /nfs/dbraw/zinc/37/77/87/294377787.db2.gz PKDSNZRVABWZMR-WDEREUQCSA-N 1 3 267.329 1.689 20 5 CDBDHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423297707 392960010 /nfs/dbraw/zinc/96/00/10/392960010.db2.gz LLVPROAIPQRGJT-MNOVXSKESA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423297707 392960011 /nfs/dbraw/zinc/96/00/11/392960011.db2.gz LLVPROAIPQRGJT-MNOVXSKESA-N 1 3 294.355 1.496 20 5 CDBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)N ZINC000423288585 392960490 /nfs/dbraw/zinc/96/04/90/392960490.db2.gz TUXCRCDULXIZOH-JTQLQIEISA-N 1 3 294.355 1.639 20 5 CDBDHO CC[C@@H](NCCOCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000420404151 535804070 /nfs/dbraw/zinc/80/40/70/535804070.db2.gz LSCGNZMKZGBIHA-CYBMUJFWSA-N 1 3 267.329 1.611 20 5 CDBDHO CN(C1CC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039924 927653470 /nfs/dbraw/zinc/65/34/70/927653470.db2.gz VVMHGVXYAOJIML-SWLSCSKDSA-N 1 3 281.400 1.990 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1CC[NH2+]CC1)C2 ZINC001246079550 947930487 /nfs/dbraw/zinc/93/04/87/947930487.db2.gz QCRQCKVKJRVOSD-CYBMUJFWSA-N 1 3 261.325 1.404 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)C2 ZINC001246079550 947930492 /nfs/dbraw/zinc/93/04/92/947930492.db2.gz QCRQCKVKJRVOSD-CYBMUJFWSA-N 1 3 261.325 1.404 20 5 CDBDHO NC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290204 374294461 /nfs/dbraw/zinc/29/44/61/374294461.db2.gz LOCNYLXXQPEAPL-CYBMUJFWSA-N 1 3 292.339 1.347 20 5 CDBDHO NC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420290204 374294466 /nfs/dbraw/zinc/29/44/66/374294466.db2.gz LOCNYLXXQPEAPL-CYBMUJFWSA-N 1 3 292.339 1.347 20 5 CDBDHO CCN(CC)CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168957823 927579746 /nfs/dbraw/zinc/57/97/46/927579746.db2.gz JCMJYGCNEBIARD-OLZOCXBDSA-N 1 3 257.378 1.753 20 5 CDBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168988942 927626650 /nfs/dbraw/zinc/62/66/50/927626650.db2.gz VGNGQKCSHIKWCZ-IGQOVBAYSA-N 1 3 269.389 1.894 20 5 CDBDHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246205571 948026995 /nfs/dbraw/zinc/02/69/95/948026995.db2.gz PXSYAIWYMOXDAL-MGPQQGTHSA-N 1 3 275.352 1.922 20 5 CDBDHO O=[N+]([O-])c1cc(CNCC[C@H]2CC[NH2+]C2)cs1 ZINC000414824830 366991370 /nfs/dbraw/zinc/99/13/70/366991370.db2.gz BFOWIUATNHDNRX-SECBINFHSA-N 1 3 255.343 1.746 20 5 CDBDHO O=[N+]([O-])c1cc(CNCCCN2CC[NH2+]CC2)cs1 ZINC000414787580 241387281 /nfs/dbraw/zinc/38/72/81/241387281.db2.gz ZFOCMMSBTXAOKY-UHFFFAOYSA-N 1 3 284.385 1.041 20 5 CDBDHO CC(C)([NH3+])CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423282969 392960394 /nfs/dbraw/zinc/96/03/94/392960394.db2.gz DQCARVNFSBOIIR-MNOVXSKESA-N 1 3 281.360 1.602 20 5 CDBDHO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H](N)CCC[NH3+] ZINC001170900480 930701707 /nfs/dbraw/zinc/70/17/07/930701707.db2.gz UWOIBMRPCNCRJG-NSHDSACASA-N 1 3 266.345 1.956 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]C1 ZINC000423327134 278298587 /nfs/dbraw/zinc/29/85/87/278298587.db2.gz CXHVDFYHJZCUMO-NWDGAFQWSA-N 1 3 263.341 1.725 20 5 CDBDHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423299613 289538692 /nfs/dbraw/zinc/53/86/92/289538692.db2.gz CCAVSTLYSDQBSB-IJLUTSLNSA-N 1 3 281.360 1.459 20 5 CDBDHO CC[N+](C)(C)Cc1ccccc1-n1nncc1CN ZINC001169309624 927945529 /nfs/dbraw/zinc/94/55/29/927945529.db2.gz FUAVSVNFQIOKAT-UHFFFAOYSA-N 1 3 260.365 1.322 20 5 CDBDHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246117323 947967494 /nfs/dbraw/zinc/96/74/94/947967494.db2.gz ZJLVTBGKBDHSEE-UGFHNGPFSA-N 1 3 289.379 1.897 20 5 CDBDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269060465 278340967 /nfs/dbraw/zinc/34/09/67/278340967.db2.gz UBLOULXQUVNEQF-GFCCVEGCSA-N 1 3 293.367 1.702 20 5 CDBDHO CC(C)([NH3+])CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171192355 931857396 /nfs/dbraw/zinc/85/73/96/931857396.db2.gz DAEUZTLSCQHCKC-UHFFFAOYSA-N 1 3 250.302 1.347 20 5 CDBDHO C[NH2+]CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923289896 685395441 /nfs/dbraw/zinc/39/54/41/685395441.db2.gz JUMATAYRZJIVJI-HNNXBMFYSA-N 1 3 293.367 1.560 20 5 CDBDHO N=C(NCCCC[NH3+])Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001157093448 938453062 /nfs/dbraw/zinc/45/30/62/938453062.db2.gz AVNPIHBKEREOIK-UHFFFAOYSA-N 1 3 286.723 1.318 20 5 CDBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCC[NH3+] ZINC000592473763 342698602 /nfs/dbraw/zinc/69/86/02/342698602.db2.gz MRBVNGSIBGBCQM-UHFFFAOYSA-N 1 3 294.355 1.512 20 5 CDBDHO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CN)C1CC1 ZINC000359910221 356441053 /nfs/dbraw/zinc/44/10/53/356441053.db2.gz ZKOGHOCJLGHLQV-AWEZNQCLSA-N 1 3 279.340 1.643 20 5 CDBDHO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CN)C1CC1 ZINC000359910221 356441054 /nfs/dbraw/zinc/44/10/54/356441054.db2.gz ZKOGHOCJLGHLQV-AWEZNQCLSA-N 1 3 279.340 1.643 20 5 CDBDHO CC(C)[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423272230 392961312 /nfs/dbraw/zinc/96/13/12/392961312.db2.gz JRILOSJISQLJAI-JHJVBQTASA-N 1 3 295.387 1.848 20 5 CDBDHO Cc1c(C[NH2+]CCCN(C)C)cccc1[N+](=O)[O-] ZINC000035648776 172325118 /nfs/dbraw/zinc/32/51/18/172325118.db2.gz ZNODPBLISGFCFE-UHFFFAOYSA-N 1 3 251.330 1.945 20 5 CDBDHO [NH3+]C[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000415038335 391248761 /nfs/dbraw/zinc/24/87/61/391248761.db2.gz NCODCBWGQPLBFA-SCZZXKLOSA-N 1 3 255.343 1.873 20 5 CDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000423301025 392960835 /nfs/dbraw/zinc/96/08/35/392960835.db2.gz GQMJJLYRGANVTK-NSHDSACASA-N 1 3 263.341 1.725 20 5 CDBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CNC1 ZINC000423301025 392960838 /nfs/dbraw/zinc/96/08/38/392960838.db2.gz GQMJJLYRGANVTK-NSHDSACASA-N 1 3 263.341 1.725 20 5 CDBDHO CN1CCC[C@@H]1CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977173 927562552 /nfs/dbraw/zinc/56/25/52/927562552.db2.gz IQYNTOBZRSMBPV-RWMBFGLXSA-N 1 3 255.362 1.506 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246613382 948346719 /nfs/dbraw/zinc/34/67/19/948346719.db2.gz YUPLQXTWMPYNLY-MGPQQGTHSA-N 1 3 267.373 1.650 20 5 CDBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]23CCCNC3)C1 ZINC001246613382 948346724 /nfs/dbraw/zinc/34/67/24/948346724.db2.gz YUPLQXTWMPYNLY-MGPQQGTHSA-N 1 3 267.373 1.650 20 5 CDBDHO [NH3+][C@@H]1CCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000424289784 374407202 /nfs/dbraw/zinc/40/72/02/374407202.db2.gz CFGCRANPWAHOAV-ZIAGYGMSSA-N 1 3 263.341 1.997 20 5 CDBDHO COc1ccc(C[C@@H](C)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170317945 1162335522 /nfs/dbraw/zinc/33/55/22/1162335522.db2.gz MSYHQLNVQCYLBR-WDEREUQCSA-N 1 3 281.356 1.719 20 5 CDBDHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)c([N+](=O)[O-])c1 ZINC001170317945 1162335525 /nfs/dbraw/zinc/33/55/25/1162335525.db2.gz MSYHQLNVQCYLBR-WDEREUQCSA-N 1 3 281.356 1.719 20 5 CDBDHO CC(C)N1CCN(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168979718 927568703 /nfs/dbraw/zinc/56/87/03/927568703.db2.gz ZQYUSEGZBRKPDU-CABCVRRESA-N 1 3 298.431 1.047 20 5 CDBDHO C[C@@H]([NH3+])[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251670 356119944 /nfs/dbraw/zinc/11/99/44/356119944.db2.gz RMPQDPDNFNSZKH-YPMHNXCESA-N 1 3 263.341 1.806 20 5 CDBDHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000252728172 392680618 /nfs/dbraw/zinc/68/06/18/392680618.db2.gz AEIMTPRJZZFPLZ-SWLSCSKDSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000252728172 392680625 /nfs/dbraw/zinc/68/06/25/392680625.db2.gz AEIMTPRJZZFPLZ-SWLSCSKDSA-N 1 3 293.367 1.903 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])C1CC1 ZINC000423286174 392960291 /nfs/dbraw/zinc/96/02/91/392960291.db2.gz ZTSJUMKNSHMAGU-GXFFZTMASA-N 1 3 263.341 1.853 20 5 CDBDHO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCNCC1 ZINC000431063609 393106331 /nfs/dbraw/zinc/10/63/31/393106331.db2.gz AHDPJUPFOIMJBA-UHFFFAOYSA-N 1 3 281.360 1.255 20 5 CDBDHO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCNCC1 ZINC000431063609 393106337 /nfs/dbraw/zinc/10/63/37/393106337.db2.gz AHDPJUPFOIMJBA-UHFFFAOYSA-N 1 3 281.360 1.255 20 5 CDBDHO CC[N+](C)(C)Cc1ccccc1-n1nccc1CN ZINC001162593364 939097911 /nfs/dbraw/zinc/09/79/11/939097911.db2.gz JLHRLFWCTOABBM-UHFFFAOYSA-N 1 3 259.377 1.927 20 5 CDBDHO C[C@@H](C[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163776998 939329118 /nfs/dbraw/zinc/32/91/18/939329118.db2.gz QLEVWGCJEXSZTG-VIFPVBQESA-N 1 3 264.329 1.560 20 5 CDBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCOCC[NH3+] ZINC000600742282 342246956 /nfs/dbraw/zinc/24/69/56/342246956.db2.gz SYIQKZQHQBSCPM-LBPRGKRZSA-N 1 3 281.356 1.871 20 5 CDBDHO [NH3+][C@@H]1CCC[C@@H](NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000582431262 364087508 /nfs/dbraw/zinc/08/75/08/364087508.db2.gz YPNQXOUJICUBRS-CHWSQXEVSA-N 1 3 263.341 1.997 20 5 CDBDHO C[C@H](CCC[NH3+])NCc1ccc([N+](=O)[O-])cc1F ZINC000415028937 241522942 /nfs/dbraw/zinc/52/29/42/241522942.db2.gz ZGZSTDGVXKXQCR-SECBINFHSA-N 1 3 255.293 1.951 20 5 CDBDHO [NH3+]C1(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000423338214 374377719 /nfs/dbraw/zinc/37/77/19/374377719.db2.gz VTXOSEUXWOOCDY-NWDGAFQWSA-N 1 3 293.371 1.746 20 5 CDBDHO C[C@@H]([NH3+])CCN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227261 397602965 /nfs/dbraw/zinc/60/29/65/397602965.db2.gz VCRRFDQJTLWPOC-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227261 397602968 /nfs/dbraw/zinc/60/29/68/397602968.db2.gz VCRRFDQJTLWPOC-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO CCN(CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])cc1C ZINC001163122116 939204438 /nfs/dbraw/zinc/20/44/38/939204438.db2.gz BONISNHLYGDXEG-UHFFFAOYSA-N 1 3 294.359 1.576 20 5 CDBDHO CC[C@H](NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000420395215 244198818 /nfs/dbraw/zinc/19/88/18/244198818.db2.gz DDTCLLAYVOYUNF-HNNXBMFYSA-N 1 3 292.383 1.541 20 5 CDBDHO C[NH2+]C[C@H](C)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277644 374373523 /nfs/dbraw/zinc/37/35/23/374373523.db2.gz QEOMVVPMHQGSAL-YNEHKIRRSA-N 1 3 295.387 1.720 20 5 CDBDHO CNC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423277644 374373528 /nfs/dbraw/zinc/37/35/28/374373528.db2.gz QEOMVVPMHQGSAL-YNEHKIRRSA-N 1 3 295.387 1.720 20 5 CDBDHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423229480 392960044 /nfs/dbraw/zinc/96/00/44/392960044.db2.gz HEFIGEHDOHTPLP-QWRGUYRKSA-N 1 3 294.355 1.639 20 5 CDBDHO C[C@@H](NCCOCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000219319243 140166404 /nfs/dbraw/zinc/16/64/04/140166404.db2.gz JULJQSXWFMKPLA-GFCCVEGCSA-N 1 3 281.356 1.824 20 5 CDBDHO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498492 626008896 /nfs/dbraw/zinc/00/88/96/626008896.db2.gz IAUCJAZUELGGIU-GHMZBOCLSA-N 1 3 264.329 1.407 20 5 CDBDHO O=[N+]([O-])c1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000591281929 342624325 /nfs/dbraw/zinc/62/43/25/342624325.db2.gz WVJFNQAAUAOAOX-ZDUSSCGKSA-N 1 3 261.325 1.827 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573697737 361919019 /nfs/dbraw/zinc/91/90/19/361919019.db2.gz WJSSNYPHIUXNEA-RYUDHWBXSA-N 1 3 279.340 1.833 20 5 CDBDHO O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420331616 244095744 /nfs/dbraw/zinc/09/57/44/244095744.db2.gz FJCCFPZHPAVASO-ZDUSSCGKSA-N 1 3 293.371 1.255 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C[NH+](C)C ZINC000453098626 252269303 /nfs/dbraw/zinc/26/93/03/252269303.db2.gz JQSQEHCICIHLGB-DGCLKSJQSA-N 1 3 281.356 1.038 20 5 CDBDHO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000886840111 737457712 /nfs/dbraw/zinc/45/77/12/737457712.db2.gz TUFAYZLQDNXCHB-QWHCGFSZSA-N 1 3 290.367 1.811 20 5 CDBDHO C[C@H](C[NH3+])N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423336918 374378063 /nfs/dbraw/zinc/37/80/63/374378063.db2.gz UPIJGKQEYAGNMB-ZWNOBZJWSA-N 1 3 263.341 1.853 20 5 CDBDHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000424331215 374409070 /nfs/dbraw/zinc/40/90/70/374409070.db2.gz JEIYDNWXAWPGLI-ZIAGYGMSSA-N 1 3 279.340 1.833 20 5 CDBDHO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CC[NH3+])C1 ZINC000723690605 742067262 /nfs/dbraw/zinc/06/72/62/742067262.db2.gz TZJACMCPWMQJIK-NSHDSACASA-N 1 3 279.340 1.774 20 5 CDBDHO CN1CCc2c(N[C@H](N)CCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001170903856 930714139 /nfs/dbraw/zinc/71/41/39/930714139.db2.gz LZSBUBVNNZSNOK-AWEZNQCLSA-N 1 3 293.371 1.018 20 5 CDBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001163123250 939205777 /nfs/dbraw/zinc/20/57/77/939205777.db2.gz ZYKWOEBETKSXTM-UHFFFAOYSA-N 1 3 294.359 1.576 20 5 CDBDHO [NH3+][C@H]1C[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000904301643 626242769 /nfs/dbraw/zinc/24/27/69/626242769.db2.gz LDUKWPRPEZARNH-BETUJISGSA-N 1 3 290.367 1.454 20 5 CDBDHO [NH3+]CC1(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254472766 947451903 /nfs/dbraw/zinc/45/19/03/947451903.db2.gz MWIMPFBMKWGYEM-UHFFFAOYSA-N 1 3 290.367 1.645 20 5 CDBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(C)(C)C[NH3+] ZINC001254532913 947509687 /nfs/dbraw/zinc/50/96/87/947509687.db2.gz SNJFJZBJWMLBTQ-SNVBAGLBSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246117320 947968768 /nfs/dbraw/zinc/96/87/68/947968768.db2.gz ZJLVTBGKBDHSEE-DFBGVHRSSA-N 1 3 289.379 1.897 20 5 CDBDHO C[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000603429299 344802588 /nfs/dbraw/zinc/80/25/88/344802588.db2.gz NBGVQHNRNQOFHQ-DGCLKSJQSA-N 1 3 295.387 1.668 20 5 CDBDHO [NH3+][C@H]1CCC[C@H](NCCc2ccccc2[N+](=O)[O-])C1 ZINC000566481110 357842140 /nfs/dbraw/zinc/84/21/40/357842140.db2.gz FMWPMCBVGIMFDG-STQMWFEESA-N 1 3 263.341 1.997 20 5 CDBDHO N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000566481110 357842141 /nfs/dbraw/zinc/84/21/41/357842141.db2.gz FMWPMCBVGIMFDG-STQMWFEESA-N 1 3 263.341 1.997 20 5 CDBDHO [NH3+]C[C@H](NCCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000420381185 244175854 /nfs/dbraw/zinc/17/58/54/244175854.db2.gz YZKKYNBEBCBGST-LBPRGKRZSA-N 1 3 281.360 1.289 20 5 CDBDHO COc1cc(CNCCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000414905233 369661706 /nfs/dbraw/zinc/66/17/06/369661706.db2.gz NRQYQDPFNCUFQW-UHFFFAOYSA-N 1 3 283.328 1.441 20 5 CDBDHO C[C@H](NCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423188428 397602306 /nfs/dbraw/zinc/60/23/06/397602306.db2.gz ZCSUCPNLEMMJAC-ZDUSSCGKSA-N 1 3 292.383 1.541 20 5 CDBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000261783234 140389178 /nfs/dbraw/zinc/38/91/78/140389178.db2.gz PVDCFLRLJCWKJO-VHDGCEQUSA-N 1 3 275.352 1.806 20 5 CDBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001173229910 912324852 /nfs/dbraw/zinc/32/48/52/912324852.db2.gz WBLCILMIXCAESS-LEWSCRJBSA-N 1 3 263.341 1.995 20 5 CDBDHO [NH3+][C@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001162399692 939045427 /nfs/dbraw/zinc/04/54/27/939045427.db2.gz CRQYLNIVGHCXKJ-NWDGAFQWSA-N 1 3 276.340 1.880 20 5 CDBDHO C[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C[NH3+] ZINC001246543029 948247371 /nfs/dbraw/zinc/24/73/71/948247371.db2.gz RHLCTLFLGLHDER-ZBINZKHDSA-N 1 3 275.352 1.589 20 5 CDBDHO O=[N+]([O-])c1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000591281821 342624250 /nfs/dbraw/zinc/62/42/50/342624250.db2.gz MAEKIEBRZMLXQJ-ZDUSSCGKSA-N 1 3 261.325 1.827 20 5 CDBDHO C[C@@H]([NH3+])CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227262 278308524 /nfs/dbraw/zinc/30/85/24/278308524.db2.gz VCRRFDQJTLWPOC-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227262 278308526 /nfs/dbraw/zinc/30/85/26/278308526.db2.gz VCRRFDQJTLWPOC-MNOVXSKESA-N 1 3 251.330 1.853 20 5 CDBDHO COc1ccc(C[C@H](C)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC001170317944 1162335952 /nfs/dbraw/zinc/33/59/52/1162335952.db2.gz MSYHQLNVQCYLBR-QWRGUYRKSA-N 1 3 281.356 1.719 20 5 CDBDHO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN)c([N+](=O)[O-])c1 ZINC001170317944 1162335956 /nfs/dbraw/zinc/33/59/56/1162335956.db2.gz MSYHQLNVQCYLBR-QWRGUYRKSA-N 1 3 281.356 1.719 20 5 CDBDHO COc1c([O-])ccc(C[NH2+]C[C@H]2C[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001579136946 1172104243 /nfs/dbraw/zinc/10/42/43/1172104243.db2.gz VWMLGWQHMKEGBO-CZMCAQCFSA-N 1 3 281.312 1.136 20 5 CDBDHO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CN(C)C ZINC001120488455 937802686 /nfs/dbraw/zinc/80/26/86/937802686.db2.gz BLHNWOZNLFEMOY-FZMZJTMJSA-N 1 3 281.356 1.416 20 5 CDBDHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227263 374372798 /nfs/dbraw/zinc/37/27/98/374372798.db2.gz VCRRFDQJTLWPOC-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](N)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423227263 374372804 /nfs/dbraw/zinc/37/28/04/374372804.db2.gz VCRRFDQJTLWPOC-QWRGUYRKSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCCO1 ZINC000423496017 274231134 /nfs/dbraw/zinc/23/11/34/274231134.db2.gz VUSKVEXTIBPPNF-JSGCOSHPSA-N 1 3 293.367 1.494 20 5 CDBDHO C[NH2+]CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423197895 277268525 /nfs/dbraw/zinc/26/85/25/277268525.db2.gz BVEUUJVRBPIQCR-VXGBXAGGSA-N 1 3 281.360 1.474 20 5 CDBDHO C[C@@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCN1 ZINC001576622190 1171469840 /nfs/dbraw/zinc/46/98/40/1171469840.db2.gz AVOGEEOXWKJLQY-QYNFOATHSA-N 1 3 279.344 1.225 20 5 CDBDHO COc1ccc(C[C@H](C)NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246077988 947930027 /nfs/dbraw/zinc/93/00/27/947930027.db2.gz LUZWVIOWOLDXQS-NSHDSACASA-N 1 3 293.367 1.876 20 5 CDBDHO COc1ccc(C[C@H](C)[NH2+]C2CCNCC2)c([N+](=O)[O-])c1 ZINC001246077988 947930035 /nfs/dbraw/zinc/93/00/35/947930035.db2.gz LUZWVIOWOLDXQS-NSHDSACASA-N 1 3 293.367 1.876 20 5 CDBDHO O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420330398 244093165 /nfs/dbraw/zinc/09/31/65/244093165.db2.gz BGZJHLCXUXTAFW-AWEZNQCLSA-N 1 3 293.371 1.255 20 5 CDBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001173229904 912327378 /nfs/dbraw/zinc/32/73/78/912327378.db2.gz WBLCILMIXCAESS-DDTOSNHZSA-N 1 3 263.341 1.995 20 5 CDBDHO C[C@H](CN)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841050174 936973401 /nfs/dbraw/zinc/97/34/01/936973401.db2.gz YVBCYOWCFJMPFI-GFCCVEGCSA-N 1 3 292.383 1.748 20 5 CDBDHO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)CN1CCCC1 ZINC000600721565 375368749 /nfs/dbraw/zinc/36/87/49/375368749.db2.gz BKAKRMJKJOTCEV-AWEZNQCLSA-N 1 3 293.367 1.184 20 5 CDBDHO [NH3+]C1(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406560 624731644 /nfs/dbraw/zinc/73/16/44/624731644.db2.gz NYXLZUGNLVNGSL-GHMZBOCLSA-N 1 3 279.344 1.356 20 5 CDBDHO O=[N+]([O-])c1cc2c(cc1NC[C@@H]1CCCC[NH2+]1)CNC2 ZINC001171335556 932763865 /nfs/dbraw/zinc/76/38/65/932763865.db2.gz XVQGMRYZIOODIC-LBPRGKRZSA-N 1 3 276.340 1.752 20 5 CDBDHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000422736278 245194188 /nfs/dbraw/zinc/19/41/88/245194188.db2.gz GFSQZUGYQYYHHV-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000422736278 245194194 /nfs/dbraw/zinc/19/41/94/245194194.db2.gz GFSQZUGYQYYHHV-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](C[NH3+])N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423336917 278184325 /nfs/dbraw/zinc/18/43/25/278184325.db2.gz UPIJGKQEYAGNMB-MFKMUULPSA-N 1 3 263.341 1.853 20 5 CDBDHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562960000 293226143 /nfs/dbraw/zinc/22/61/43/293226143.db2.gz FEMYQHZXVDHQKZ-FZMZJTMJSA-N 1 3 279.340 1.691 20 5 CDBDHO CN(C)Cc1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229700336 942514028 /nfs/dbraw/zinc/51/40/28/942514028.db2.gz YRQFMWWOTPLZBH-CQSZACIVSA-N 1 3 295.403 1.111 20 5 CDBDHO COc1ccc(OCC[NH2+]CC2(N)CCC2)c([N+](=O)[O-])c1 ZINC000342113885 536849551 /nfs/dbraw/zinc/84/95/51/536849551.db2.gz AWUXQVZXDZGFTQ-UHFFFAOYSA-N 1 3 295.339 1.453 20 5 CDBDHO C[C@H]1CC2(CN1Cc1cccnc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000886839480 791500898 /nfs/dbraw/zinc/50/08/98/791500898.db2.gz FRLRWOXHSSYODV-LBPRGKRZSA-N 1 3 290.367 1.954 20 5 CDBDHO C[NH+](C)CCCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169035694 927644237 /nfs/dbraw/zinc/64/42/37/927644237.db2.gz LDIFLDUTIWLBMT-HUUCEWRRSA-N 1 3 298.431 1.001 20 5 CDBDHO C[C@@H]1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)C[NH2+]1 ZINC001162556641 939086338 /nfs/dbraw/zinc/08/63/38/939086338.db2.gz OYMZTHUAFDDKPO-NXEZZACHSA-N 1 3 276.340 1.608 20 5 CDBDHO C[C@@H]1CC[C@H](CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)[NH2+]C1 ZINC001246106492 947957172 /nfs/dbraw/zinc/95/71/72/947957172.db2.gz QCYJPAKSNRCRQV-YVECIDJPSA-N 1 3 255.362 1.410 20 5 CDBDHO C[C@@H](C[NH3+])N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423368523 374379814 /nfs/dbraw/zinc/37/98/14/374379814.db2.gz NHIWLSXCJXKUGN-AXFHLTTASA-N 1 3 267.333 1.212 20 5 CDBDHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000603435235 375566531 /nfs/dbraw/zinc/56/65/31/375566531.db2.gz WEEWHRHSCZILEM-STQMWFEESA-N 1 3 279.340 1.689 20 5 CDBDHO [NH3+]C[C@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000415038336 391248686 /nfs/dbraw/zinc/24/86/86/391248686.db2.gz NCODCBWGQPLBFA-WCBMZHEXSA-N 1 3 255.343 1.873 20 5 CDBDHO [NH3+]C1(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000902406561 624731914 /nfs/dbraw/zinc/73/19/14/624731914.db2.gz NYXLZUGNLVNGSL-MNOVXSKESA-N 1 3 279.344 1.356 20 5 CDBDHO CN1CC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169039483 927650705 /nfs/dbraw/zinc/65/07/05/927650705.db2.gz QAWHHOJHSZHWRY-CHWSQXEVSA-N 1 3 267.373 1.459 20 5 CDBDHO CN(C)CCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601085 947550199 /nfs/dbraw/zinc/55/01/99/947550199.db2.gz YYMKKFKMNYKCJY-HNNXBMFYSA-N 1 3 277.368 1.946 20 5 CDBDHO CN(C)CCC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601085 947550207 /nfs/dbraw/zinc/55/02/07/947550207.db2.gz YYMKKFKMNYKCJY-HNNXBMFYSA-N 1 3 277.368 1.946 20 5 CDBDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266773114 375669160 /nfs/dbraw/zinc/66/91/60/375669160.db2.gz KJQYVMHFGYFBCV-LBPRGKRZSA-N 1 3 293.367 1.702 20 5 CDBDHO [NH3+][C@@H]1COC[C@H]1N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899828 912036807 /nfs/dbraw/zinc/03/68/07/912036807.db2.gz CZWLELZCEOHCDQ-BPLDGKMQSA-N 1 3 291.351 1.158 20 5 CDBDHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977174 927564051 /nfs/dbraw/zinc/56/40/51/927564051.db2.gz IQYNTOBZRSMBPV-YNEHKIRRSA-N 1 3 255.362 1.506 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001060 927605950 /nfs/dbraw/zinc/60/59/50/927605950.db2.gz CQYRCZVEONCGBT-RCBQFDQVSA-N 1 3 289.379 1.817 20 5 CDBDHO NC[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001060 927605956 /nfs/dbraw/zinc/60/59/56/927605956.db2.gz CQYRCZVEONCGBT-RCBQFDQVSA-N 1 3 289.379 1.817 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCCNC1)C2 ZINC001246089413 947939906 /nfs/dbraw/zinc/93/99/06/947939906.db2.gz DWKWAIGAGCZCRJ-KGLIPLIRSA-N 1 3 275.352 1.794 20 5 CDBDHO O=[N+]([O-])c1cc(CN[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000591281947 342624261 /nfs/dbraw/zinc/62/42/61/342624261.db2.gz ZZRFXMUKDMOTCL-SNVBAGLBSA-N 1 3 267.354 1.888 20 5 CDBDHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000420353765 244129585 /nfs/dbraw/zinc/12/95/85/244129585.db2.gz CAHLLIAWCFPKDG-AWEZNQCLSA-N 1 3 293.367 1.951 20 5 CDBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[C@H](C)[NH3+] ZINC000423229481 392960729 /nfs/dbraw/zinc/96/07/29/392960729.db2.gz HEFIGEHDOHTPLP-WDEREUQCSA-N 1 3 294.355 1.639 20 5 CDBDHO C[NH2+]CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423197894 277268784 /nfs/dbraw/zinc/26/87/84/277268784.db2.gz BVEUUJVRBPIQCR-RYUDHWBXSA-N 1 3 281.360 1.474 20 5 CDBDHO CN1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336762541 960555774 /nfs/dbraw/zinc/55/57/74/960555774.db2.gz CSYASJNPVMCGHG-BXUZGUMPSA-N 1 3 279.340 1.170 20 5 CDBDHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422783326 245251172 /nfs/dbraw/zinc/25/11/72/245251172.db2.gz HGHOMDQMRHVUDB-STQMWFEESA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422783326 245251175 /nfs/dbraw/zinc/25/11/75/245251175.db2.gz HGHOMDQMRHVUDB-STQMWFEESA-N 1 3 263.341 1.854 20 5 CDBDHO CC[C@H]([NH3+])CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423475136 374383034 /nfs/dbraw/zinc/38/30/34/374383034.db2.gz RPNBFVJXFDRPIQ-QJPTWQEYSA-N 1 3 281.360 1.602 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000423195594 274231126 /nfs/dbraw/zinc/23/11/26/274231126.db2.gz ZOSSZCCJNSOPNC-NSHDSACASA-N 1 3 263.341 1.867 20 5 CDBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCNCC1 ZINC000423195594 274231127 /nfs/dbraw/zinc/23/11/27/274231127.db2.gz ZOSSZCCJNSOPNC-NSHDSACASA-N 1 3 263.341 1.867 20 5 CDBDHO C[C@H]([NH3+])CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423223579 289772315 /nfs/dbraw/zinc/77/23/15/289772315.db2.gz GQHALQTWPIPOAJ-SDDRHHMPSA-N 1 3 281.360 1.602 20 5 CDBDHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571157598 294377743 /nfs/dbraw/zinc/37/77/43/294377743.db2.gz PKDSNZRVABWZMR-GHMZBOCLSA-N 1 3 267.329 1.689 20 5 CDBDHO CN1CC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169039484 927650255 /nfs/dbraw/zinc/65/02/55/927650255.db2.gz QAWHHOJHSZHWRY-OLZOCXBDSA-N 1 3 267.373 1.459 20 5 CDBDHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573697735 361918855 /nfs/dbraw/zinc/91/88/55/361918855.db2.gz WJSSNYPHIUXNEA-NEPJUHHUSA-N 1 3 279.340 1.833 20 5 CDBDHO [NH3+]C[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000415047889 391251140 /nfs/dbraw/zinc/25/11/40/391251140.db2.gz WNJXLNMYZJJBCO-ONGXEEELSA-N 1 3 267.304 1.951 20 5 CDBDHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000562960001 293226187 /nfs/dbraw/zinc/22/61/87/293226187.db2.gz FEMYQHZXVDHQKZ-RISCZKNCSA-N 1 3 279.340 1.691 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCCNC1)C2 ZINC001246089415 947939526 /nfs/dbraw/zinc/93/95/26/947939526.db2.gz DWKWAIGAGCZCRJ-ZIAGYGMSSA-N 1 3 275.352 1.794 20 5 CDBDHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000423011798 374366588 /nfs/dbraw/zinc/36/65/88/374366588.db2.gz JJQMYKORAGYLRY-OCCSQVGLSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1cccc([N+](=O)[O-])c1 ZINC000423011798 374366592 /nfs/dbraw/zinc/36/65/92/374366592.db2.gz JJQMYKORAGYLRY-OCCSQVGLSA-N 1 3 263.341 1.854 20 5 CDBDHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000603435233 375566587 /nfs/dbraw/zinc/56/65/87/375566587.db2.gz WEEWHRHSCZILEM-OLZOCXBDSA-N 1 3 279.340 1.689 20 5 CDBDHO O=[N+]([O-])c1cnc2c(c1)CN(CCC1CC[NH2+]CC1)CC2 ZINC000420372653 285184157 /nfs/dbraw/zinc/18/41/57/285184157.db2.gz LQNQQUJINOAJGH-UHFFFAOYSA-N 1 3 290.367 1.738 20 5 CDBDHO [NH3+][C@H](CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319653 392960122 /nfs/dbraw/zinc/96/01/22/392960122.db2.gz LUFYKNIKHKWHLH-JHJVBQTASA-N 1 3 293.371 1.602 20 5 CDBDHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169048999 927666136 /nfs/dbraw/zinc/66/61/36/927666136.db2.gz VRCFSHSXROKAKY-APIJFGDWSA-N 1 3 281.400 1.705 20 5 CDBDHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1 ZINC001169048999 927666143 /nfs/dbraw/zinc/66/61/43/927666143.db2.gz VRCFSHSXROKAKY-APIJFGDWSA-N 1 3 281.400 1.705 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@H]1CC13C[NH2+]C3)CC2 ZINC001246445285 948176475 /nfs/dbraw/zinc/17/64/75/948176475.db2.gz NSSOBKOSFOSHDH-HIFRSBDPSA-N 1 3 287.363 1.794 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246445285 948176480 /nfs/dbraw/zinc/17/64/80/948176480.db2.gz NSSOBKOSFOSHDH-HIFRSBDPSA-N 1 3 287.363 1.794 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@H]1CC13C[NH2+]C3)CC2 ZINC001246445287 948176949 /nfs/dbraw/zinc/17/69/49/948176949.db2.gz NSSOBKOSFOSHDH-ZFWWWQNUSA-N 1 3 287.363 1.794 20 5 CDBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246445287 948176953 /nfs/dbraw/zinc/17/69/53/948176953.db2.gz NSSOBKOSFOSHDH-ZFWWWQNUSA-N 1 3 287.363 1.794 20 5 CDBDHO C[C@H]([NH3+])CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000591580679 342638053 /nfs/dbraw/zinc/63/80/53/342638053.db2.gz JOFHPQFOOAMKAU-GARJFASQSA-N 1 3 267.333 1.212 20 5 CDBDHO O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CC[NH2+]CC1 ZINC000841043048 618678095 /nfs/dbraw/zinc/67/80/95/618678095.db2.gz NKEJLHVDNMJJBJ-UHFFFAOYSA-N 1 3 298.774 1.243 20 5 CDBDHO N=C(NCCCC[NH3+])Nc1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157097445 938453974 /nfs/dbraw/zinc/45/39/74/938453974.db2.gz XKFPGFIBSQCZHZ-UHFFFAOYSA-N 1 3 286.723 1.318 20 5 CDBDHO C[C@@H]1CC2(CN1Cc1cccnc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000886839479 705199594 /nfs/dbraw/zinc/19/95/94/705199594.db2.gz FRLRWOXHSSYODV-GFCCVEGCSA-N 1 3 290.367 1.954 20 5 CDBDHO [NH3+][C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549251 948255969 /nfs/dbraw/zinc/25/59/69/948255969.db2.gz WGWXGDVDJGLLTR-ZFWWWQNUSA-N 1 3 275.352 1.875 20 5 CDBDHO NC[C@@H]1CCCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246582482 948311780 /nfs/dbraw/zinc/31/17/80/948311780.db2.gz MYNAPNRARFMTSZ-AVGNSLFASA-N 1 3 255.362 1.493 20 5 CDBDHO NC[C@@H]1CCCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246582482 948311789 /nfs/dbraw/zinc/31/17/89/948311789.db2.gz MYNAPNRARFMTSZ-AVGNSLFASA-N 1 3 255.362 1.493 20 5 CDBDHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571157600 294377794 /nfs/dbraw/zinc/37/77/94/294377794.db2.gz PKDSNZRVABWZMR-QWRGUYRKSA-N 1 3 267.329 1.689 20 5 CDBDHO CCOc1ccc([N+](=O)[O-])cc1CNCCCC[NH3+] ZINC000414902676 369583293 /nfs/dbraw/zinc/58/32/93/369583293.db2.gz KMWZOXUJYPJYCL-UHFFFAOYSA-N 1 3 267.329 1.822 20 5 CDBDHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000424336712 374408502 /nfs/dbraw/zinc/40/85/02/374408502.db2.gz QRZAPMJZPXHOCE-VXGBXAGGSA-N 1 3 279.340 1.833 20 5 CDBDHO [NH3+][C@H](CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000423319648 392961206 /nfs/dbraw/zinc/96/12/06/392961206.db2.gz LUFYKNIKHKWHLH-AGIUHOORSA-N 1 3 293.371 1.602 20 5 CDBDHO COc1ccc(C[C@H](C)NC2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170313967 1162335074 /nfs/dbraw/zinc/33/50/74/1162335074.db2.gz SDQDWKMHKFFQQK-GCVQQVDUSA-N 1 3 279.340 1.614 20 5 CDBDHO C[C@H](C[NH+](C)C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163776997 939328469 /nfs/dbraw/zinc/32/84/69/939328469.db2.gz QLEVWGCJEXSZTG-SECBINFHSA-N 1 3 264.329 1.560 20 5 CDBDHO [NH3+][C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246549245 948257331 /nfs/dbraw/zinc/25/73/31/948257331.db2.gz WGWXGDVDJGLLTR-DZGCQCFKSA-N 1 3 275.352 1.875 20 5 CDBDHO C[C@H](CCC[NH3+])NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591282151 342624381 /nfs/dbraw/zinc/62/43/81/342624381.db2.gz WGCHUMJCSHSTJK-SNVBAGLBSA-N 1 3 295.339 1.583 20 5 CDBDHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000591580685 342637967 /nfs/dbraw/zinc/63/79/67/342637967.db2.gz JVVRLMZWWLWXHB-GHMZBOCLSA-N 1 3 251.330 1.853 20 5 CDBDHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423302360 390825614 /nfs/dbraw/zinc/82/56/14/390825614.db2.gz HGADVFBDRBRKOM-GHMZBOCLSA-N 1 3 251.330 1.710 20 5 CDBDHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423302360 390825616 /nfs/dbraw/zinc/82/56/16/390825616.db2.gz HGADVFBDRBRKOM-GHMZBOCLSA-N 1 3 251.330 1.710 20 5 CDBDHO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CC[NH3+])C1 ZINC000723690604 896132055 /nfs/dbraw/zinc/13/20/55/896132055.db2.gz TZJACMCPWMQJIK-LLVKDONJSA-N 1 3 279.340 1.774 20 5 CDBDHO C[C@@H]1NCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925596661 932911901 /nfs/dbraw/zinc/91/19/01/932911901.db2.gz KSPGGWLGQNESFH-SMDDNHRTSA-N 1 3 279.340 1.704 20 5 CDBDHO C[C@H]([NH3+])[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000163251576 356120207 /nfs/dbraw/zinc/12/02/07/356120207.db2.gz RMPQDPDNFNSZKH-AAEUAGOBSA-N 1 3 263.341 1.806 20 5 CDBDHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000422783323 245251859 /nfs/dbraw/zinc/25/18/59/245251859.db2.gz HGHOMDQMRHVUDB-CHWSQXEVSA-N 1 3 263.341 1.854 20 5 CDBDHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000422783323 245251861 /nfs/dbraw/zinc/25/18/61/245251861.db2.gz HGHOMDQMRHVUDB-CHWSQXEVSA-N 1 3 263.341 1.854 20 5 CDBDHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423174339 392958275 /nfs/dbraw/zinc/95/82/75/392958275.db2.gz AKPLNSRZGMPHQC-CYBMUJFWSA-N 1 3 292.383 1.541 20 5 CDBDHO C[C@H]([NH3+])C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000923284155 923694916 /nfs/dbraw/zinc/69/49/16/923694916.db2.gz IJVWXSAKQFMRBI-XHDPSFHLSA-N 1 3 293.367 1.687 20 5 CDBDHO O=[N+]([O-])c1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000591281820 342624306 /nfs/dbraw/zinc/62/43/06/342624306.db2.gz MAEKIEBRZMLXQJ-CYBMUJFWSA-N 1 3 261.325 1.827 20 5 CDBDHO CN(CCOCC[NH3+])CCc1ccc([N+](=O)[O-])cc1 ZINC000600734622 342246114 /nfs/dbraw/zinc/24/61/14/342246114.db2.gz IICRMCKNVLKULJ-UHFFFAOYSA-N 1 3 267.329 1.044 20 5 CDBDHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271836175 191358323 /nfs/dbraw/zinc/35/83/23/191358323.db2.gz PWTVAHHBLOJSDJ-UHFFFAOYSA-N 1 3 291.351 1.955 20 5 CDBDHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271836175 191358326 /nfs/dbraw/zinc/35/83/26/191358326.db2.gz PWTVAHHBLOJSDJ-UHFFFAOYSA-N 1 3 291.351 1.955 20 5 CDBDHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423266947 277282740 /nfs/dbraw/zinc/28/27/40/277282740.db2.gz DMFLILYSRDLDCP-NWDGAFQWSA-N 1 3 265.357 1.971 20 5 CDBDHO