smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173520939 375248170 /nfs/dbraw/zinc/24/81/70/375248170.db2.gz QGMXTMDTPAKIFQ-ZDUSSCGKSA-N 1 0 340.384 -1.142 20 5 EABDRO C[NH+](C)CC(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173520954 415317906 /nfs/dbraw/zinc/31/79/06/415317906.db2.gz QGMXTMDTPAKIFQ-CYBMUJFWSA-N 1 0 340.384 -1.142 20 5 EABDRO C[N@@H+](CC(=O)N1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266539892 265057015 /nfs/dbraw/zinc/05/70/15/265057015.db2.gz POWVXDFCJXDHCH-GFCCVEGCSA-N 1 0 327.341 -1.057 20 5 EABDRO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266539897 265125399 /nfs/dbraw/zinc/12/53/99/265125399.db2.gz POWVXDFCJXDHCH-LBPRGKRZSA-N 1 0 327.341 -1.057 20 5 EABDRO CO[C@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000289884713 414856114 /nfs/dbraw/zinc/85/61/14/414856114.db2.gz IAKSZGNCLHTYAH-LLVKDONJSA-N 1 0 346.365 -1.037 20 5 EABDRO CO[C@@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000289884716 414855455 /nfs/dbraw/zinc/85/54/55/414855455.db2.gz IAKSZGNCLHTYAH-NSHDSACASA-N 1 0 346.365 -1.037 20 5 EABDRO CO[C@@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290091683 265118281 /nfs/dbraw/zinc/11/82/81/265118281.db2.gz WYBRQWWGMDECEH-JTQLQIEISA-N 1 0 346.365 -1.037 20 5 EABDRO CO[C@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000290091689 414855738 /nfs/dbraw/zinc/85/57/38/414855738.db2.gz WYBRQWWGMDECEH-SNVBAGLBSA-N 1 0 346.365 -1.037 20 5 EABDRO O=C(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000322303680 374604925 /nfs/dbraw/zinc/60/49/25/374604925.db2.gz ABMGPDAIEHJZET-GFCCVEGCSA-N 1 0 327.341 -1.009 20 5 EABDRO O=C(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000322303681 374605751 /nfs/dbraw/zinc/60/57/51/374605751.db2.gz ABMGPDAIEHJZET-LBPRGKRZSA-N 1 0 327.341 -1.009 20 5 EABDRO O=C(Cn1ccc([N+](=O)[O-])n1)N(CCO)CCN1CCOCC1 ZINC000339806996 265059504 /nfs/dbraw/zinc/05/95/04/265059504.db2.gz WEUYKGDSXDEUSA-UHFFFAOYSA-N 1 0 327.341 -1.056 20 5 EABDRO C[NH+](C)CC(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000342848964 265182838 /nfs/dbraw/zinc/18/28/38/265182838.db2.gz PIJVPVVGGQKIPY-UHFFFAOYSA-N 1 0 325.329 -1.581 20 5 EABDRO [NH3+]CC(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000347653723 374837590 /nfs/dbraw/zinc/83/75/90/374837590.db2.gz LCPYFHSWLOQCEO-UHFFFAOYSA-N 1 0 349.347 -1.046 20 5 EABDRO CO[C@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353171227 265385142 /nfs/dbraw/zinc/38/51/42/265385142.db2.gz KTQPKZVEJSOUAP-LLVKDONJSA-N 1 0 346.365 -1.037 20 5 EABDRO CO[C@@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353171228 414955565 /nfs/dbraw/zinc/95/55/65/414955565.db2.gz KTQPKZVEJSOUAP-NSHDSACASA-N 1 0 346.365 -1.037 20 5 EABDRO CCn1cc(S(=O)(=O)NCCN2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000353212708 265148520 /nfs/dbraw/zinc/14/85/20/265148520.db2.gz BCAKEXIJLQHGBP-UHFFFAOYSA-N 1 0 332.386 -1.005 20 5 EABDRO C[C@](O)(CNC(=O)Cn1ccc([N+](=O)[O-])n1)CN1CCOCC1 ZINC000359814391 265225251 /nfs/dbraw/zinc/22/52/51/265225251.db2.gz ZALJIOXQTVDEDI-ZDUSSCGKSA-N 1 0 327.341 -1.009 20 5 EABDRO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000363547357 414854342 /nfs/dbraw/zinc/85/43/42/414854342.db2.gz YFGHRGSYLHAYBI-UTUOFQBUSA-N 1 0 326.353 -1.299 20 5 EABDRO NS(=O)(=O)N1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000367123816 265243334 /nfs/dbraw/zinc/24/33/34/265243334.db2.gz YBVYOOPKHCAXMM-UHFFFAOYSA-N 1 0 345.381 -1.032 20 5 EABDRO NS(=O)(=O)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000377888858 375194863 /nfs/dbraw/zinc/19/48/63/375194863.db2.gz SSRSMFNZSPPWBK-LLVKDONJSA-N 1 0 348.385 -1.637 20 5 EABDRO NS(=O)(=O)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000377888863 265049571 /nfs/dbraw/zinc/04/95/71/265049571.db2.gz SSRSMFNZSPPWBK-NSHDSACASA-N 1 0 348.385 -1.637 20 5 EABDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000428176075 374362646 /nfs/dbraw/zinc/36/26/46/374362646.db2.gz KPMMODSVWISXFG-UHFFFAOYSA-N 1 0 337.336 -1.353 20 5 EABDRO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434980086 414848041 /nfs/dbraw/zinc/84/80/41/414848041.db2.gz AKDREGWLHRRRCJ-KBPBESRZSA-N 1 0 343.384 -1.223 20 5 EABDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)CN1CCOCC1 ZINC000434980087 414849537 /nfs/dbraw/zinc/84/95/37/414849537.db2.gz AKDREGWLHRRRCJ-KGLIPLIRSA-N 1 0 343.384 -1.223 20 5 EABDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)CN1CCOCC1 ZINC000434980088 414848857 /nfs/dbraw/zinc/84/88/57/414848857.db2.gz AKDREGWLHRRRCJ-UONOGXRCSA-N 1 0 343.384 -1.223 20 5 EABDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)CN1CCOCC1 ZINC000434980089 414848462 /nfs/dbraw/zinc/84/84/62/414848462.db2.gz AKDREGWLHRRRCJ-ZIAGYGMSSA-N 1 0 343.384 -1.223 20 5 EABDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440653752 415094391 /nfs/dbraw/zinc/09/43/91/415094391.db2.gz JTRYJTZXANNCBY-GXSJLCMTSA-N 1 0 333.370 -1.095 20 5 EABDRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440653753 265150023 /nfs/dbraw/zinc/15/00/23/265150023.db2.gz JTRYJTZXANNCBY-KOLCDFICSA-N 1 0 333.370 -1.095 20 5 EABDRO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440653754 265276559 /nfs/dbraw/zinc/27/65/59/265276559.db2.gz JTRYJTZXANNCBY-MWLCHTKSSA-N 1 0 333.370 -1.095 20 5 EABDRO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440653755 415092553 /nfs/dbraw/zinc/09/25/53/415092553.db2.gz JTRYJTZXANNCBY-ONGXEEELSA-N 1 0 333.370 -1.095 20 5 EABDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000444398808 265036907 /nfs/dbraw/zinc/03/69/07/265036907.db2.gz KOHPUEQIYFQMAI-AWEZNQCLSA-N 1 0 343.384 -1.221 20 5 EABDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000444398809 265045615 /nfs/dbraw/zinc/04/56/15/265045615.db2.gz KOHPUEQIYFQMAI-CQSZACIVSA-N 1 0 343.384 -1.221 20 5 EABDRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533545391 375195332 /nfs/dbraw/zinc/19/53/32/375195332.db2.gz UHGDIGWHQNNTLI-GHMZBOCLSA-N 1 0 333.370 -1.224 20 5 EABDRO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533545392 375195135 /nfs/dbraw/zinc/19/51/35/375195135.db2.gz UHGDIGWHQNNTLI-MNOVXSKESA-N 1 0 333.370 -1.224 20 5 EABDRO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533545393 375195020 /nfs/dbraw/zinc/19/50/20/375195020.db2.gz UHGDIGWHQNNTLI-QWRGUYRKSA-N 1 0 333.370 -1.224 20 5 EABDRO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533545394 375195118 /nfs/dbraw/zinc/19/51/18/375195118.db2.gz UHGDIGWHQNNTLI-WDEREUQCSA-N 1 0 333.370 -1.224 20 5 EABDRO CCn1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000564958091 374418398 /nfs/dbraw/zinc/41/83/98/374418398.db2.gz NFDADTFDYMOJSH-UHFFFAOYSA-N 1 0 346.369 -1.479 20 5 EABDRO CN1CCN(C(=O)CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566116899 374422532 /nfs/dbraw/zinc/42/25/32/374422532.db2.gz NSTITLMKJDISSP-CYBMUJFWSA-N 1 0 340.384 -1.094 20 5 EABDRO CN1CCN(C(=O)CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566116905 374421311 /nfs/dbraw/zinc/42/13/11/374421311.db2.gz NSTITLMKJDISSP-ZDUSSCGKSA-N 1 0 340.384 -1.094 20 5 EABDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)CN2CCOCC2)c1 ZINC000567873035 374521984 /nfs/dbraw/zinc/52/19/84/374521984.db2.gz MCZVOMPWPIRYNE-AAEUAGOBSA-N 1 0 329.357 -1.565 20 5 EABDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)c1 ZINC000567873036 374520682 /nfs/dbraw/zinc/52/06/82/374520682.db2.gz MCZVOMPWPIRYNE-DGCLKSJQSA-N 1 0 329.357 -1.565 20 5 EABDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)c1 ZINC000567873037 374521679 /nfs/dbraw/zinc/52/16/79/374521679.db2.gz MCZVOMPWPIRYNE-WCQYABFASA-N 1 0 329.357 -1.565 20 5 EABDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)c1 ZINC000567873038 374521884 /nfs/dbraw/zinc/52/18/84/374521884.db2.gz MCZVOMPWPIRYNE-YPMHNXCESA-N 1 0 329.357 -1.565 20 5 EABDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000570177966 374555716 /nfs/dbraw/zinc/55/57/16/374555716.db2.gz OQVZHVLZWWUPOC-GXSJLCMTSA-N 1 0 337.340 -1.255 20 5 EABDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000570177967 374555860 /nfs/dbraw/zinc/55/58/60/374555860.db2.gz OQVZHVLZWWUPOC-KOLCDFICSA-N 1 0 337.340 -1.255 20 5 EABDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000570177968 374395499 /nfs/dbraw/zinc/39/54/99/374395499.db2.gz OQVZHVLZWWUPOC-MWLCHTKSSA-N 1 0 337.340 -1.255 20 5 EABDRO [NH3+][C@H]1C[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CCN2C1=O ZINC000570177969 374395603 /nfs/dbraw/zinc/39/56/03/374395603.db2.gz OQVZHVLZWWUPOC-ONGXEEELSA-N 1 0 337.340 -1.255 20 5 EABDRO COC(=O)c1cn(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 ZINC000570564779 374555642 /nfs/dbraw/zinc/55/56/42/374555642.db2.gz FISHYQONGZWTSW-JTQLQIEISA-N 1 0 339.312 -1.180 20 5 EABDRO COC(=O)c1cn(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nn1 ZINC000570564780 374555469 /nfs/dbraw/zinc/55/54/69/374555469.db2.gz FISHYQONGZWTSW-SNVBAGLBSA-N 1 0 339.312 -1.180 20 5 EABDRO O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000570943679 374558060 /nfs/dbraw/zinc/55/80/60/374558060.db2.gz HKMDIKQNQVLOAK-UHFFFAOYSA-N 1 0 334.336 -1.274 20 5 EABDRO O=C1[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CCO ZINC000571284304 374559619 /nfs/dbraw/zinc/55/96/19/374559619.db2.gz QGRFZTAQCLRDLG-NEPJUHHUSA-N 1 0 327.341 -1.275 20 5 EABDRO O=C1[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CCO ZINC000571284305 374559693 /nfs/dbraw/zinc/55/96/93/374559693.db2.gz QGRFZTAQCLRDLG-NWDGAFQWSA-N 1 0 327.341 -1.275 20 5 EABDRO O=C1[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CCO ZINC000571284306 374560202 /nfs/dbraw/zinc/56/02/02/374560202.db2.gz QGRFZTAQCLRDLG-RYUDHWBXSA-N 1 0 327.341 -1.275 20 5 EABDRO O=C1[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1CCO ZINC000571284307 374559665 /nfs/dbraw/zinc/55/96/65/374559665.db2.gz QGRFZTAQCLRDLG-VXGBXAGGSA-N 1 0 327.341 -1.275 20 5 EABDRO O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnccn1 ZINC000574313543 374644178 /nfs/dbraw/zinc/64/41/78/374644178.db2.gz XGGGGGXMHDTIMJ-LLVKDONJSA-N 1 0 335.324 -1.038 20 5 EABDRO O=C(NCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cnccn1 ZINC000574313544 374643220 /nfs/dbraw/zinc/64/32/20/374643220.db2.gz XGGGGGXMHDTIMJ-NSHDSACASA-N 1 0 335.324 -1.038 20 5 EABDRO O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000576212958 374845155 /nfs/dbraw/zinc/84/51/55/374845155.db2.gz QTCJWHRIZXQLSY-UHFFFAOYSA-N 1 0 334.336 -1.274 20 5 EABDRO CCn1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])n1 ZINC000581131245 374404788 /nfs/dbraw/zinc/40/47/88/374404788.db2.gz DZOSIYBTKAPVAA-SECBINFHSA-N 1 0 332.386 -1.007 20 5 EABDRO CCn1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])n1 ZINC000581131246 374404623 /nfs/dbraw/zinc/40/46/23/374404623.db2.gz DZOSIYBTKAPVAA-VIFPVBQESA-N 1 0 332.386 -1.007 20 5 EABDRO CS(=O)(=O)NC1CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591766196 374442396 /nfs/dbraw/zinc/44/23/96/374442396.db2.gz OLWLWJOSWBGXKL-AMUVOQDHSA-N 1 0 333.370 -1.178 20 5 EABDRO CS(=O)(=O)NC1CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591766197 374441970 /nfs/dbraw/zinc/44/19/70/374441970.db2.gz OLWLWJOSWBGXKL-NWGYLPEXSA-N 1 0 333.370 -1.178 20 5 EABDRO [NH3+]CCOCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592054937 374445498 /nfs/dbraw/zinc/44/54/98/374445498.db2.gz DZJUANQWCFWZAJ-UHFFFAOYSA-N 1 0 346.365 -1.035 20 5 EABDRO [NH3+]CCOCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592062448 374446115 /nfs/dbraw/zinc/44/61/15/374446115.db2.gz COFGAYNELVDFQU-UHFFFAOYSA-N 1 0 346.365 -1.035 20 5 EABDRO [NH3+]CCOCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592144508 374447681 /nfs/dbraw/zinc/44/76/81/374447681.db2.gz IETRTQXBNMVMBT-UHFFFAOYSA-N 1 0 346.365 -1.035 20 5 EABDRO O=C(CNS(=O)(=O)c1cccnc1[N+](=O)[O-])N1CC[NH2+]CC1 ZINC000592365870 374450655 /nfs/dbraw/zinc/45/06/55/374450655.db2.gz CPCWJTHCTQQMIJ-UHFFFAOYSA-N 1 0 329.338 -1.300 20 5 EABDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000592879316 374454374 /nfs/dbraw/zinc/45/43/74/374454374.db2.gz KUSWNLUIDABBNR-SECBINFHSA-N 1 0 325.329 -1.235 20 5 EABDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000592879317 374453669 /nfs/dbraw/zinc/45/36/69/374453669.db2.gz KUSWNLUIDABBNR-VIFPVBQESA-N 1 0 325.329 -1.235 20 5 EABDRO C[NH+](C)CCN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593052164 374458050 /nfs/dbraw/zinc/45/80/50/374458050.db2.gz OEXCITPNDRHJMB-CYBMUJFWSA-N 1 0 340.384 -1.142 20 5 EABDRO C[NH+](C)CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593052174 374458351 /nfs/dbraw/zinc/45/83/51/374458351.db2.gz OEXCITPNDRHJMB-ZDUSSCGKSA-N 1 0 340.384 -1.142 20 5 EABDRO C[NH+](C)CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O ZINC000593235358 374459646 /nfs/dbraw/zinc/45/96/46/374459646.db2.gz SVLDSUGIFVTNPL-UHFFFAOYSA-N 1 0 325.329 -1.581 20 5 EABDRO O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CC[NH2+]CC1 ZINC000595106875 374472954 /nfs/dbraw/zinc/47/29/54/374472954.db2.gz YWTYOYLGLPPBTM-UHFFFAOYSA-N 1 0 329.338 -1.300 20 5 EABDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000595118167 374472823 /nfs/dbraw/zinc/47/28/23/374472823.db2.gz VDCNOFCRXIUWPT-NXEZZACHSA-N 1 0 341.349 -1.078 20 5 EABDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000595118168 374471749 /nfs/dbraw/zinc/47/17/49/374471749.db2.gz VDCNOFCRXIUWPT-UWVGGRQHSA-N 1 0 341.349 -1.078 20 5 EABDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000595118169 374473014 /nfs/dbraw/zinc/47/30/14/374473014.db2.gz VDCNOFCRXIUWPT-VHSXEESVSA-N 1 0 341.349 -1.078 20 5 EABDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCN2C1=O ZINC000595118170 374472369 /nfs/dbraw/zinc/47/23/69/374472369.db2.gz VDCNOFCRXIUWPT-ZJUUUORDSA-N 1 0 341.349 -1.078 20 5 EABDRO [NH3+]CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595901520 374481427 /nfs/dbraw/zinc/48/14/27/374481427.db2.gz FGNOZJHKHSTCAZ-GFCCVEGCSA-N 1 0 347.393 -1.018 20 5 EABDRO [NH3+]CCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595901530 374481604 /nfs/dbraw/zinc/48/16/04/374481604.db2.gz FGNOZJHKHSTCAZ-LBPRGKRZSA-N 1 0 347.393 -1.018 20 5 EABDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(O)C[NH2+]C1 ZINC000595929375 374481446 /nfs/dbraw/zinc/48/14/46/374481446.db2.gz SWDHXWPLDNYEQO-UHFFFAOYSA-N 1 0 344.349 -1.676 20 5 EABDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1(O)C[NH2+]C1 ZINC000595932046 374480780 /nfs/dbraw/zinc/48/07/80/374480780.db2.gz MMDMRDKMQKHJGU-UHFFFAOYSA-N 1 0 344.349 -1.676 20 5 EABDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1(O)C[NH2+]C1 ZINC000595944174 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1 0 346.369 -1.619 20 5 EABDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000600761874 374344678 /nfs/dbraw/zinc/34/46/78/374344678.db2.gz SSGGDYZCWFTCKS-LLVKDONJSA-N 1 0 348.385 -1.768 20 5 EABDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000600761883 375222025 /nfs/dbraw/zinc/22/20/25/375222025.db2.gz SSGGDYZCWFTCKS-NSHDSACASA-N 1 0 348.385 -1.768 20 5 EABDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000820854059 583333368 /nfs/dbraw/zinc/33/33/68/583333368.db2.gz ZDMJTJIHVZJSHH-IJLUTSLNSA-N 1 0 328.369 -1.053 20 5 EABDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000820854072 583333342 /nfs/dbraw/zinc/33/33/42/583333342.db2.gz ZDMJTJIHVZJSHH-QJPTWQEYSA-N 1 0 328.369 -1.053 20 5 EABDRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839752944 583257007 /nfs/dbraw/zinc/25/70/07/583257007.db2.gz KTDMODAKWNDYRO-VXGBXAGGSA-N 1 0 328.369 -1.099 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC000983116805 668811323 /nfs/dbraw/zinc/81/13/23/668811323.db2.gz LDRTVZFMTWYATR-MGCOHNPYSA-N 1 0 349.355 -1.001 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC000983688341 668835205 /nfs/dbraw/zinc/83/52/05/668835205.db2.gz IGKBANMQRORZPU-MGCOHNPYSA-N 1 0 349.355 -1.001 20 5 EABDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000996439029 669754205 /nfs/dbraw/zinc/75/42/05/669754205.db2.gz AILQCVLHTCHJAT-GHMZBOCLSA-N 1 0 339.352 -1.216 20 5 EABDRO O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788222 669030923 /nfs/dbraw/zinc/03/09/23/669030923.db2.gz OPLOWVRLIDVIAY-GHMZBOCLSA-N 1 0 339.352 -1.216 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019975783 673040360 /nfs/dbraw/zinc/04/03/60/673040360.db2.gz JJCXIRSLLAJMKS-KYZUINATSA-N 1 0 335.328 -1.248 20 5 EABDRO O=C(N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138785 673044892 /nfs/dbraw/zinc/04/48/92/673044892.db2.gz AHGMAKJOKAMBMF-DDHJBXDOSA-N 1 0 346.409 -1.076 20 5 EABDRO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1 ZINC001020138840 673045138 /nfs/dbraw/zinc/04/51/38/673045138.db2.gz DDVQXPPIWWALKQ-DDHJBXDOSA-N 1 0 326.353 -1.253 20 5 EABDRO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCNC(=O)C1 ZINC001020138869 673044842 /nfs/dbraw/zinc/04/48/42/673044842.db2.gz FSWCSUYNAGZDJH-GWOFURMSSA-N 1 0 339.352 -2.153 20 5 EABDRO O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139889 673045362 /nfs/dbraw/zinc/04/53/62/673045362.db2.gz QKSKIEILLCXZTR-ZYUZMQFOSA-N 1 0 325.325 -1.560 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020156534 673045917 /nfs/dbraw/zinc/04/59/17/673045917.db2.gz PRTDFYNLMIYBRW-KYZUINATSA-N 1 0 335.328 -1.248 20 5 EABDRO 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O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063946 668342663 /nfs/dbraw/zinc/34/26/63/668342663.db2.gz QKSKIEILLCXZTR-UTINFBMNSA-N 1 0 325.325 -1.560 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022083308 668343917 /nfs/dbraw/zinc/34/39/17/668343917.db2.gz PRTDFYNLMIYBRW-DTORHVGOSA-N 1 0 335.328 -1.248 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001022560632 668373901 /nfs/dbraw/zinc/37/39/01/668373901.db2.gz OONJITWHVUMAEH-OCAPTIKFSA-N 1 0 335.328 -1.098 20 5 EABDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775351 668853149 /nfs/dbraw/zinc/85/31/49/668853149.db2.gz RJUFYGZNRVQHNI-QEGBUVANSA-N 1 0 336.348 -1.153 20 5 EABDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776376 668853292 /nfs/dbraw/zinc/85/32/92/668853292.db2.gz ANXJRJLWMJBWBI-GPTQDWHKSA-N 1 0 337.336 -1.750 20 5 EABDRO O=C(NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663374 669960540 /nfs/dbraw/zinc/96/05/40/669960540.db2.gz XXYFKWSDDDAJOV-GHMZBOCLSA-N 1 0 339.352 -1.359 20 5 EABDRO C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976543 673525464 /nfs/dbraw/zinc/52/54/64/673525464.db2.gz HRBIHRGAVRQUBC-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976628 673525349 /nfs/dbraw/zinc/52/53/49/673525349.db2.gz LZKBGXZGTGPYBS-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976656 673525415 /nfs/dbraw/zinc/52/54/15/673525415.db2.gz NCHYLLOOOWCRBH-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976664 673525366 /nfs/dbraw/zinc/52/53/66/673525366.db2.gz NLEOCZXVQBTEDC-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO C[NH+](C)CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976730 673525513 /nfs/dbraw/zinc/52/55/13/673525513.db2.gz QYXFUDFHRMRKSW-GHMZBOCLSA-N 1 0 344.368 -2.081 20 5 EABDRO O=C(NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001042976757 673525371 /nfs/dbraw/zinc/52/53/71/673525371.db2.gz SEZHUJTZUJXMDP-GHMZBOCLSA-N 1 0 338.364 -1.563 20 5 EABDRO C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001042976787 673525297 /nfs/dbraw/zinc/52/52/97/673525297.db2.gz UJVQVOQZSAHHBI-VXGBXAGGSA-N 1 0 340.380 -1.317 20 5 EABDRO C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001042976793 673525575 /nfs/dbraw/zinc/52/55/75/673525575.db2.gz URQJADMZSAKCRN-GHMZBOCLSA-N 1 0 340.380 -1.317 20 5 EABDRO CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042977658 673525455 /nfs/dbraw/zinc/52/54/55/673525455.db2.gz BHNWEKDINARBGU-GHMZBOCLSA-N 1 0 328.369 -1.319 20 5 EABDRO C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 ZINC001042977794 673525977 /nfs/dbraw/zinc/52/59/77/673525977.db2.gz CTDNIYIPTKMTCA-GHMZBOCLSA-N 1 0 340.380 -1.175 20 5 EABDRO O=C(C[NH+]1CCCC1)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042979356 673526035 /nfs/dbraw/zinc/52/60/35/673526035.db2.gz YQGUUXSIODTVET-GHMZBOCLSA-N 1 0 326.353 -1.563 20 5 EABDRO C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 ZINC001042981607 673526353 /nfs/dbraw/zinc/52/63/53/673526353.db2.gz YAFRVCVCRLRKRN-VXGBXAGGSA-N 1 0 340.380 -1.175 20 5 EABDRO O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001043123615 673554094 /nfs/dbraw/zinc/55/40/94/673554094.db2.gz GCHBLLDELBECME-GHMZBOCLSA-N 1 0 326.353 -1.563 20 5 EABDRO CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001043157667 673562043 /nfs/dbraw/zinc/56/20/43/673562043.db2.gz INWDREZIUWYCFX-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001043427092 673604753 /nfs/dbraw/zinc/60/47/53/673604753.db2.gz FKLJYSJXLMYZIN-GHMZBOCLSA-N 1 0 328.369 -1.319 20 5 EABDRO C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CCC1 ZINC001043454963 673609014 /nfs/dbraw/zinc/60/90/14/673609014.db2.gz KPNZRHIDUAKASK-GHMZBOCLSA-N 1 0 340.380 -1.175 20 5 EABDRO C[N@H+](CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCC1 ZINC001043535923 673625006 /nfs/dbraw/zinc/62/50/06/673625006.db2.gz KFBJPOTZLZGBMC-VXGBXAGGSA-N 1 0 340.380 -1.175 20 5 EABDRO C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001043708767 673643359 /nfs/dbraw/zinc/64/33/59/673643359.db2.gz QRVJGYPGGKPBCC-VXGBXAGGSA-N 1 0 340.380 -1.317 20 5 EABDRO C[NH+](C)CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001044002109 673698600 /nfs/dbraw/zinc/69/86/00/673698600.db2.gz XZPGHKYGXKPNAO-GHMZBOCLSA-N 1 0 344.368 -2.081 20 5 EABDRO O=C(NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C12CC[NH+](CC1)C2 ZINC001044023385 673701600 /nfs/dbraw/zinc/70/16/00/673701600.db2.gz LGUXRNOARNVXCL-GHMZBOCLSA-N 1 0 338.364 -1.563 20 5 EABDRO CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001044298526 673727158 /nfs/dbraw/zinc/72/71/58/673727158.db2.gz MVBTYNPUEFVMDR-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001045392546 673811915 /nfs/dbraw/zinc/81/19/15/673811915.db2.gz XPESLORYMUTYON-GHMZBOCLSA-N 1 0 340.380 -1.317 20 5 EABDRO C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001045412876 673814304 /nfs/dbraw/zinc/81/43/04/673814304.db2.gz HWFQKDCKZPRTLR-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001046525951 673876226 /nfs/dbraw/zinc/87/62/26/673876226.db2.gz XHJZYRICGWOLIT-GHMZBOCLSA-N 1 0 328.369 -1.317 20 5 EABDRO COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055495491 674193376 /nfs/dbraw/zinc/19/33/76/674193376.db2.gz WOOBZTNTDALNNE-VXGBXAGGSA-N 1 0 328.369 -1.005 20 5 EABDRO NC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055548577 674196791 /nfs/dbraw/zinc/19/67/91/674196791.db2.gz RMQUURYDVZBGRQ-GHMZBOCLSA-N 1 0 341.368 -1.776 20 5 EABDRO NC(=O)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055574892 674198330 /nfs/dbraw/zinc/19/83/30/674198330.db2.gz CGMVOEZFQNUNHM-GHMZBOCLSA-N 1 0 341.368 -1.776 20 5 EABDRO COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575071 674198504 /nfs/dbraw/zinc/19/85/04/674198504.db2.gz KSKPRNAQJMMUBR-VXGBXAGGSA-N 1 0 328.369 -1.005 20 5 EABDRO NC(=O)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575579 674198511 /nfs/dbraw/zinc/19/85/11/674198511.db2.gz YLULHDKWWZCOSA-NXEZZACHSA-N 1 0 327.341 -2.166 20 5 EABDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057543433 672714293 /nfs/dbraw/zinc/71/42/93/672714293.db2.gz ISBDMSDSMNCCDD-VXGBXAGGSA-N 1 0 340.380 -1.316 20 5 EABDRO C[NH+](C)CCOCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057543639 672714761 /nfs/dbraw/zinc/71/47/61/672714761.db2.gz QXGKDJJVMNUMRS-VXGBXAGGSA-N 1 0 346.384 -1.833 20 5 EABDRO C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001057544422 672714635 /nfs/dbraw/zinc/71/46/35/672714635.db2.gz CEYHATBLOVAHQS-VXGBXAGGSA-N 1 0 342.396 -1.070 20 5 EABDRO CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057544550 672715071 /nfs/dbraw/zinc/71/50/71/672715071.db2.gz HJMZFBJBBFXUDY-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057544568 672715459 /nfs/dbraw/zinc/71/54/59/672715459.db2.gz ILLDGLQFBUZSHV-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057544855 672715312 /nfs/dbraw/zinc/71/53/12/672715312.db2.gz OBZCHWJUWANTSR-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057545263 672715281 /nfs/dbraw/zinc/71/52/81/672715281.db2.gz YNLFIHKSRLQMJV-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001057545287 672715633 /nfs/dbraw/zinc/71/56/33/672715633.db2.gz ZRKKZHTXCPPVJJ-CHWSQXEVSA-N 1 0 342.396 -1.070 20 5 EABDRO CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057546718 672716171 /nfs/dbraw/zinc/71/61/71/672716171.db2.gz FFLIMXSDSZMROI-VXGBXAGGSA-N 1 0 330.385 -1.071 20 5 EABDRO O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057546722 672715974 /nfs/dbraw/zinc/71/59/74/672715974.db2.gz FJLLVOWSPVVOTG-VXGBXAGGSA-N 1 0 328.369 -1.316 20 5 EABDRO O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057641182 672748447 /nfs/dbraw/zinc/74/84/47/672748447.db2.gz VZZUZIJCRMAYNO-VXGBXAGGSA-N 1 0 328.369 -1.316 20 5 EABDRO CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057659454 672756670 /nfs/dbraw/zinc/75/66/70/672756670.db2.gz PXZVLDRCGXPLAJ-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057863104 672922008 /nfs/dbraw/zinc/92/20/08/672922008.db2.gz GCSKEXVHLFAULW-VXGBXAGGSA-N 1 0 330.385 -1.071 20 5 EABDRO C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001057994025 672951562 /nfs/dbraw/zinc/95/15/62/672951562.db2.gz GWQUXVVTGHZICJ-CHWSQXEVSA-N 1 0 342.396 -1.070 20 5 EABDRO C[NH+](C)CCOCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058156295 672986823 /nfs/dbraw/zinc/98/68/23/672986823.db2.gz FDSFQUDFXBIGMB-VXGBXAGGSA-N 1 0 346.384 -1.833 20 5 EABDRO O=C(NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058161997 672988983 /nfs/dbraw/zinc/98/89/83/672988983.db2.gz GYELYSIQHCMYJS-VXGBXAGGSA-N 1 0 340.380 -1.316 20 5 EABDRO CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058255664 673002690 /nfs/dbraw/zinc/00/26/90/673002690.db2.gz YXUDOVCXBWXTKE-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001058600477 668712025 /nfs/dbraw/zinc/71/20/25/668712025.db2.gz ZGPZQNHGWUYRLL-VXGBXAGGSA-N 1 0 342.396 -1.070 20 5 EABDRO C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058610645 668745868 /nfs/dbraw/zinc/74/58/68/668745868.db2.gz NJEKKYXEYLLUFU-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058815122 668504117 /nfs/dbraw/zinc/50/41/17/668504117.db2.gz MOYHKNNVGFARQO-VXGBXAGGSA-N 1 0 330.385 -1.070 20 5 EABDRO O=C(C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1 ZINC001086083159 686388606 /nfs/dbraw/zinc/38/86/06/686388606.db2.gz PRDDZASGBJPZDI-YVECIDJPSA-N 1 0 340.380 -1.005 20 5 EABDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084247 686388807 /nfs/dbraw/zinc/38/88/07/686388807.db2.gz JIONCMXKBUNMQJ-LMLFDSFASA-N 1 0 339.352 -1.312 20 5 EABDRO O=C(C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1 ZINC001086363360 686397651 /nfs/dbraw/zinc/39/76/51/686397651.db2.gz PRDDZASGBJPZDI-FDYHWXHSSA-N 1 0 340.380 -1.005 20 5 EABDRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363780 686398004 /nfs/dbraw/zinc/39/80/04/686398004.db2.gz JIONCMXKBUNMQJ-GWOFURMSSA-N 1 0 339.352 -1.312 20 5 EABDRO CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364062 791470036 /nfs/dbraw/zinc/47/00/36/791470036.db2.gz JURNBWYZXZEZSB-VXGBXAGGSA-N 1 0 328.369 -1.317 20 5 EABDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098366014 792034114 /nfs/dbraw/zinc/03/41/14/792034114.db2.gz UBYGKJKBVOYQQR-ZIAGYGMSSA-N 1 0 345.396 -1.054 20 5 EABDRO CS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001118090863 792724000 /nfs/dbraw/zinc/72/40/00/792724000.db2.gz PQSDQPJFOJMRDI-LLVKDONJSA-N 1 0 333.370 -1.367 20 5 EABDRO CS(=O)(=O)N1CC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001118090864 786264000 /nfs/dbraw/zinc/26/40/00/786264000.db2.gz PQSDQPJFOJMRDI-NSHDSACASA-N 1 0 333.370 -1.367 20 5 EABDRO NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121081930 792824012 /nfs/dbraw/zinc/82/40/12/792824012.db2.gz VNCKTKIMKIUPDE-BLWCDZRWSA-N 1 0 339.352 -1.137 20 5 EABDRO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936678 785833103 /nfs/dbraw/zinc/83/31/03/785833103.db2.gz QGXRIWVXDBKJKX-NXEZZACHSA-N 1 0 343.384 -1.612 20 5 EABDRO COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938674 785834246 /nfs/dbraw/zinc/83/42/46/785834246.db2.gz GDXDNPOOFOYTQE-GHMZBOCLSA-N 1 0 337.398 -1.191 20 5 EABDRO NC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001126938687 785834350 /nfs/dbraw/zinc/83/43/50/785834350.db2.gz GWUWTEXVHLZCIH-GHMZBOCLSA-N 1 0 341.368 -1.919 20 5 EABDRO CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938879 785833194 /nfs/dbraw/zinc/83/31/94/785833194.db2.gz KYAZLDSNOHJJOS-VXGBXAGGSA-N 1 0 338.368 -1.251 20 5 EABDRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939168 785834397 /nfs/dbraw/zinc/83/43/97/785834397.db2.gz PSWILMZYFJAGBG-RKDXNWHRSA-N 1 0 329.357 -1.018 20 5 EABDRO CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939187 785833947 /nfs/dbraw/zinc/83/39/47/785833947.db2.gz QRFDEHXPWZKJPC-NXEZZACHSA-N 1 0 329.357 -1.161 20 5 EABDRO CC(=O)N1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001126942642 785833343 /nfs/dbraw/zinc/83/33/43/785833343.db2.gz DANVUXWZCIDTOT-VXGBXAGGSA-N 1 0 341.368 -1.952 20 5 EABDRO CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942771 785833004 /nfs/dbraw/zinc/83/30/04/785833004.db2.gz GQDFWPUMRIWXJG-GHMZBOCLSA-N 1 0 343.384 -1.658 20 5 EABDRO Cn1c(=O)cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)c1=O ZINC001126943117 785834292 /nfs/dbraw/zinc/83/42/92/785834292.db2.gz LNUUMZZUKOEQIM-NXEZZACHSA-N 1 0 325.325 -2.045 20 5 EABDRO CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943672 785833376 /nfs/dbraw/zinc/83/33/76/785833376.db2.gz RTOIUVCAPHMNFK-NXEZZACHSA-N 1 0 329.357 -1.017 20 5 EABDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC(=O)N1CCCC1 ZINC001126949100 785835592 /nfs/dbraw/zinc/83/55/92/785835592.db2.gz MEPLDFHNVKNHHT-GHMZBOCLSA-N 1 0 341.368 -1.904 20 5 EABDRO CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC001126949458 785834898 /nfs/dbraw/zinc/83/48/98/785834898.db2.gz UDBPVWJQJGPQKL-RKDXNWHRSA-N 1 0 327.341 -1.312 20 5 EABDRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131828303 787099768 /nfs/dbraw/zinc/09/97/68/787099768.db2.gz KHGRZUAMQXBEIT-UHFFFAOYSA-N 1 0 345.381 -1.146 20 5 EABDRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131828307 787098789 /nfs/dbraw/zinc/09/87/89/787098789.db2.gz KMAQKQFZXNYXIO-UHFFFAOYSA-N 1 0 345.381 -1.146 20 5 EABDRO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131832065 787100781 /nfs/dbraw/zinc/10/07/81/787100781.db2.gz XBJIBHAXOIRVRZ-UHFFFAOYSA-N 1 0 345.381 -1.146 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CS(C)(=O)=O ZINC001155302882 786448802 /nfs/dbraw/zinc/44/88/02/786448802.db2.gz XRGIWEWFOBCGCD-UHFFFAOYSA-N 1 0 333.370 -1.031 20 5 EABDRO COC(=O)[C@@H](CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155925124 793305926 /nfs/dbraw/zinc/30/59/26/793305926.db2.gz DRLYSUUONBUDSJ-MRVPVSSYSA-N 1 0 326.313 -1.260 20 5 EABDRO N=c1cc(CN)ncn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156620437 793315661 /nfs/dbraw/zinc/31/56/61/793315661.db2.gz OEADJCFLLCZUEC-UHFFFAOYSA-N 1 0 331.340 -1.082 20 5 EABDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CN1CN=NC1=O ZINC001156879260 793321358 /nfs/dbraw/zinc/32/13/58/793321358.db2.gz FEQPAMXTETXJEL-UHFFFAOYSA-N 1 0 338.328 -1.079 20 5 EABDRO O=[N+]([O-])c1c(NC(CO)(CO)CO)ncnc1N1CC[NH2+]CC1 ZINC001157149439 786639169 /nfs/dbraw/zinc/63/91/69/786639169.db2.gz JUSNPKLFAKNGCA-UHFFFAOYSA-N 1 0 328.329 -2.078 20 5 EABDRO O=[N+]([O-])c1cnc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)nc1C1C[NH2+]C1 ZINC001157283416 793330046 /nfs/dbraw/zinc/33/00/46/793330046.db2.gz GDRLXVTYZLMMRI-GXSYLFEOSA-N 1 0 325.325 -1.414 20 5 EABDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NC1CC1 ZINC001157766905 793340425 /nfs/dbraw/zinc/34/04/25/793340425.db2.gz BNULLMYMBBIXAP-NXEZZACHSA-N 1 0 327.341 -1.264 20 5 EABDRO CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767049 793340037 /nfs/dbraw/zinc/34/00/37/793340037.db2.gz FLQWYZXYKHEVJB-NXEZZACHSA-N 1 0 329.357 -1.017 20 5 EABDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCNC(=O)C1 ZINC001157767076 793339633 /nfs/dbraw/zinc/33/96/33/793339633.db2.gz HERPFHHRRXLQMS-NXEZZACHSA-N 1 0 327.341 -2.294 20 5 EABDRO O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767886 793340255 /nfs/dbraw/zinc/34/02/55/793340255.db2.gz ZYZILTGMXCNYEU-GHMZBOCLSA-N 1 0 334.398 -1.217 20 5 EABDRO Cn1c(=O)cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)c1=O ZINC001157775031 793339066 /nfs/dbraw/zinc/33/90/66/793339066.db2.gz INJQGZGWWXEHRX-GHMZBOCLSA-N 1 0 339.352 -1.655 20 5 EABDRO O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775558 793338754 /nfs/dbraw/zinc/33/87/54/793338754.db2.gz QRNJRXNAXBHMNJ-NXEZZACHSA-N 1 0 327.341 -1.311 20 5 EABDRO O=C1CO[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CN1 ZINC001158388820 793357097 /nfs/dbraw/zinc/35/70/97/793357097.db2.gz UFNREAVEIKFDJC-SECBINFHSA-N 1 0 337.340 -1.279 20 5 EABDRO O=C1CO[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CN1 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DRADGLQLSSKZRL-RKDXNWHRSA-N 1 0 327.341 -1.277 20 5 EABDRO CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490551 793661682 /nfs/dbraw/zinc/66/16/82/793661682.db2.gz MGYASLCLGNINOD-NXEZZACHSA-N 1 0 341.368 -1.017 20 5 EABDRO O=C1CN(C2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C2)CCN1 ZINC001165115562 793665081 /nfs/dbraw/zinc/66/50/81/793665081.db2.gz CZACZYWIRPUXEZ-UHFFFAOYSA-N 1 0 333.352 -1.308 20 5 EABDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001165300880 793666566 /nfs/dbraw/zinc/66/65/66/793666566.db2.gz MUPGDAJYMOYNQE-UHFFFAOYSA-N 1 0 335.324 -1.070 20 5 EABDRO NC(=O)N1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001166573412 793683826 /nfs/dbraw/zinc/68/38/26/793683826.db2.gz IMUMDFJTCSZDMP-UHFFFAOYSA-N 1 0 336.356 -1.005 20 5 EABDRO NC(=O)[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCN1 ZINC001166723486 793686063 /nfs/dbraw/zinc/68/60/63/793686063.db2.gz FLDDGLCCQOXWJU-SECBINFHSA-N 1 0 336.356 -1.942 20 5 EABDRO 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CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001176336785 787862692 /nfs/dbraw/zinc/86/26/92/787862692.db2.gz RVGKBGXQVSZMOG-UHFFFAOYSA-N 1 0 348.385 -1.527 20 5 EABDRO O=C(NCCO)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001196575993 791104025 /nfs/dbraw/zinc/10/40/25/791104025.db2.gz ZYVCFEAYENCSLS-CYBMUJFWSA-N 1 0 341.368 -1.027 20 5 EABDRO O=C(NCCO)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001196575994 791104795 /nfs/dbraw/zinc/10/47/95/791104795.db2.gz ZYVCFEAYENCSLS-ZDUSSCGKSA-N 1 0 341.368 -1.027 20 5 EABDRO CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200461324 791322540 /nfs/dbraw/zinc/32/25/40/791322540.db2.gz AOZSCBSPQYGEHU-NXEZZACHSA-N 1 0 327.341 -1.312 20 5 EABDRO CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471053 791325512 /nfs/dbraw/zinc/32/55/12/791325512.db2.gz CNRQYFXJGUCOFK-GHMZBOCLSA-N 1 0 334.398 -1.219 20 5 EABDRO NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224379 793705759 /nfs/dbraw/zinc/70/57/59/793705759.db2.gz RAGLVLLSLVWGMM-NXEZZACHSA-N 1 0 327.341 -1.325 20 5 EABDRO CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224675 793705518 /nfs/dbraw/zinc/70/55/18/793705518.db2.gz WIYVYNBHNKFTOA-GHMZBOCLSA-N 1 0 341.368 -1.065 20 5 EABDRO NC(=O)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114890 794471251 /nfs/dbraw/zinc/47/12/51/794471251.db2.gz VWQRYLFEHWIELC-NXEZZACHSA-N 1 0 327.341 -1.325 20 5 EABDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224796508 794487560 /nfs/dbraw/zinc/48/75/60/794487560.db2.gz KDXKEISUJJUEIL-SECBINFHSA-N 1 0 349.320 -1.921 20 5 EABDRO C[N@@H+]1[C@@H]2C[C@H](OCC(=O)N3CC([N+](=O)[O-])([N+](=O)[O-])C3)[C@H]1CC(=O)C2 ZINC001224797822 794488093 /nfs/dbraw/zinc/48/80/93/794488093.db2.gz UEYGFWOHAWELSO-GDPRMGEGSA-N 1 0 342.308 -1.101 20 5 EABDRO C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)N3CC([N+](=O)[O-])([N+](=O)[O-])C3)[C@H]1CC(=O)C2 ZINC001224797835 794488050 /nfs/dbraw/zinc/48/80/50/794488050.db2.gz UEYGFWOHAWELSO-JMJZKYOTSA-N 1 0 342.308 -1.101 20 5 EABDRO CO[C@@H]1CC[N@H+](CCOCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224799675 794487036 /nfs/dbraw/zinc/48/70/36/794487036.db2.gz KLPJPBMYALFVRC-SNVBAGLBSA-N 1 0 332.313 -1.184 20 5 EABDRO Cn1c2[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2c(=O)n(C)c1=O ZINC001229707877 794541287 /nfs/dbraw/zinc/54/12/87/794541287.db2.gz MDLNPMBAUHAHLL-MRVPVSSYSA-O 1 0 340.360 -1.677 20 5 EABDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001254538775 794714430 /nfs/dbraw/zinc/71/44/30/794714430.db2.gz BAROJTKMQLINBK-BUYINNJUSA-N 1 0 342.348 -1.085 20 5 EABDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001254538776 794714260 /nfs/dbraw/zinc/71/42/60/794714260.db2.gz BAROJTKMQLINBK-KGOYKBJISA-N 1 0 342.348 -1.085 20 5 EABDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001254538777 794713340 /nfs/dbraw/zinc/71/33/40/794713340.db2.gz BAROJTKMQLINBK-MIQUVIGZSA-N 1 0 342.348 -1.085 20 5 EABDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001254538778 794713996 /nfs/dbraw/zinc/71/39/96/794713996.db2.gz BAROJTKMQLINBK-SSPFGONASA-N 1 0 342.348 -1.085 20 5 EABDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001254577921 794713205 /nfs/dbraw/zinc/71/32/05/794713205.db2.gz HVXDXOVHBPQHNA-ARYYTZDLSA-N 1 0 340.332 -1.549 20 5 EABDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001254577922 794714305 /nfs/dbraw/zinc/71/43/05/794714305.db2.gz HVXDXOVHBPQHNA-ICLPOSBMSA-N 1 0 340.332 -1.549 20 5 EABDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C2 ZINC001254577923 794713570 /nfs/dbraw/zinc/71/35/70/794713570.db2.gz HVXDXOVHBPQHNA-NUPQKNFTSA-N 1 0 340.332 -1.549 20 5 EABDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C2 ZINC001254577924 794713912 /nfs/dbraw/zinc/71/39/12/794713912.db2.gz HVXDXOVHBPQHNA-PDAWATHFSA-N 1 0 340.332 -1.549 20 5 EABDRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587683 794714392 /nfs/dbraw/zinc/71/43/92/794714392.db2.gz ACUURWSECGUUGG-LLVKDONJSA-N 1 0 349.347 -1.631 20 5 EABDRO NC(=O)CNC(=O)CNC(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587685 794713233 /nfs/dbraw/zinc/71/32/33/794713233.db2.gz ACUURWSECGUUGG-NSHDSACASA-N 1 0 349.347 -1.631 20 5 EABDRO CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001265538863 794866200 /nfs/dbraw/zinc/86/62/00/794866200.db2.gz OLGRYSHHSCZTAM-LMLFDSFASA-N 1 0 334.398 -1.172 20 5 EABDRO CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(C)(=O)=O ZINC001265714832 794870209 /nfs/dbraw/zinc/87/02/09/794870209.db2.gz WLMDNWZOJTYSFR-ZIQFBCGOSA-N 1 0 346.409 -1.411 20 5 EABDRO CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001265845054 794874264 /nfs/dbraw/zinc/87/42/64/794874264.db2.gz BROLMPJMQADPOC-NXEZZACHSA-N 1 0 329.357 -1.065 20 5 EABDRO CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696822 785148524 /nfs/dbraw/zinc/14/85/24/785148524.db2.gz TVAPSFOUAMHWJF-NXEZZACHSA-N 1 0 327.341 -1.312 20 5 EABDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1C(=O)CNC1=O ZINC001267241001 785211293 /nfs/dbraw/zinc/21/12/93/785211293.db2.gz HFLAOKZPVHAIEH-NXEZZACHSA-N 1 0 327.341 -1.359 20 5 EABDRO O=C(NCC1([NH2+]CCN2CCCS2(=O)=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411298 785539520 /nfs/dbraw/zinc/53/95/20/785539520.db2.gz BJVKGHZYNOFDOS-GHMZBOCLSA-N 1 0 346.409 -1.075 20 5 EABDRO NC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001271854159 785738846 /nfs/dbraw/zinc/73/88/46/785738846.db2.gz RBOYYPGJELWHQO-UTINFBMNSA-N 1 0 325.325 -1.763 20 5 EABDRO CS(=O)(=O)NCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001271854350 785738869 /nfs/dbraw/zinc/73/88/69/785738869.db2.gz RXFOHOZCRPSXAN-WRWGMCAJSA-N 1 0 346.409 -1.409 20 5 EABDRO CCNC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001271911300 785745449 /nfs/dbraw/zinc/74/54/49/785745449.db2.gz DKNFUALIASVDQE-CHWSQXEVSA-N 1 0 341.412 -1.042 20 5 EABDRO CN(CC[N@H+](C)CCCN1C(=O)CNC1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013668 785761010 /nfs/dbraw/zinc/76/10/10/785761010.db2.gz PLMMTWPJUIVKQT-GHMZBOCLSA-N 1 0 341.368 -1.016 20 5 EABDRO O=C(N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276976673 794484975 /nfs/dbraw/zinc/48/49/75/794484975.db2.gz IBHXYSWMZONKHB-GWOFURMSSA-N 1 0 339.352 -1.312 20 5 EABDRO O=C(C[NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCOCC1 ZINC001276976720 794484324 /nfs/dbraw/zinc/48/43/24/794484324.db2.gz KFXDTKSCUSSFJW-FDYHWXHSSA-N 1 0 340.380 -1.005 20 5 EABDRO CN(CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001277054367 794494978 /nfs/dbraw/zinc/49/49/78/794494978.db2.gz DDNFSICGDSSYPN-NXEZZACHSA-N 1 0 334.398 -1.219 20 5 EABDRO CNC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279362577 794892963 /nfs/dbraw/zinc/89/29/63/794892963.db2.gz IAOAGCWSMVMMMI-LMLFDSFASA-N 1 0 339.352 -1.503 20 5 EABDRO Cn1nncc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281614306 795023800 /nfs/dbraw/zinc/02/38/00/795023800.db2.gz YCRNQIKSCGRZFA-VXGBXAGGSA-N 1 0 338.368 -1.077 20 5 EABDRO C[NH+](C)CCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001282866880 788386712 /nfs/dbraw/zinc/38/67/12/788386712.db2.gz ZUXXNZKHMGRMPD-VXGBXAGGSA-N 1 0 328.369 -1.099 20 5 EABDRO C[NH+]1CCC(OCC(=O)NCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283004937 788404704 /nfs/dbraw/zinc/40/47/04/788404704.db2.gz LRAKJPNGMQFOBJ-VXGBXAGGSA-N 1 0 328.369 -1.005 20 5 EABDRO C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001284091669 788525799 /nfs/dbraw/zinc/52/57/99/788525799.db2.gz ONHVKGZPXOBNAH-WRWGMCAJSA-N 1 0 328.369 -1.007 20 5 EABDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001299345699 791457250 /nfs/dbraw/zinc/45/72/50/791457250.db2.gz KNUULKNPZYNPBU-VXGBXAGGSA-N 1 0 328.369 -1.101 20 5 EABDRO