smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000019683100 202017146 /nfs/dbraw/zinc/01/71/46/202017146.db2.gz ZYBBNINVEDNHEP-UHFFFAOYSA-N 1 2 341.367 2.679 40 5 EFBBLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074314304 202373629 /nfs/dbraw/zinc/37/36/29/202373629.db2.gz JJLDHXOFPYPGRL-ZDUSSCGKSA-N 1 2 332.385 2.654 40 5 EFBBLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074314304 202373631 /nfs/dbraw/zinc/37/36/31/202373631.db2.gz JJLDHXOFPYPGRL-ZDUSSCGKSA-N 1 2 332.385 2.654 40 5 EFBBLO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000217502745 241254157 /nfs/dbraw/zinc/25/41/57/241254157.db2.gz OFPUSFZDUKNSTQ-SFHVURJKSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000217502745 241254159 /nfs/dbraw/zinc/25/41/59/241254159.db2.gz OFPUSFZDUKNSTQ-SFHVURJKSA-N 1 2 328.368 2.875 40 5 EFBBLO CC[NH+](CC)Cc1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 ZINC000071260546 203088342 /nfs/dbraw/zinc/08/83/42/203088342.db2.gz FNHCRJILCBPRQU-UHFFFAOYSA-N 1 2 332.389 2.603 40 5 EFBBLO CCCOC(=O)c1cc(Cl)c(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000070462661 276267043 /nfs/dbraw/zinc/26/70/43/276267043.db2.gz QNQWXYCDGSNVMG-UHFFFAOYSA-N 1 2 341.795 2.567 40 5 EFBBLO CC[NH+]1CCN(c2c(Br)cc([N+](=O)[O-])cc2OC)CC1 ZINC000045886007 472480420 /nfs/dbraw/zinc/48/04/20/472480420.db2.gz VMTMGNDAXVSBAB-UHFFFAOYSA-N 1 2 344.209 2.508 40 5 EFBBLO CC(C)[N@H+](Cc1cnn(C)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000096459463 473432187 /nfs/dbraw/zinc/43/21/87/473432187.db2.gz HLRZIZDKRMVDMU-UHFFFAOYSA-N 1 2 329.360 2.880 40 5 EFBBLO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000096459463 473432192 /nfs/dbraw/zinc/43/21/92/473432192.db2.gz HLRZIZDKRMVDMU-UHFFFAOYSA-N 1 2 329.360 2.880 40 5 EFBBLO O=[N+]([O-])c1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000217502835 474144110 /nfs/dbraw/zinc/14/41/10/474144110.db2.gz OFPUSFZDUKNSTQ-GOSISDBHSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000217502835 474144115 /nfs/dbraw/zinc/14/41/15/474144115.db2.gz OFPUSFZDUKNSTQ-GOSISDBHSA-N 1 2 328.368 2.875 40 5 EFBBLO Cc1c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000052835597 214148475 /nfs/dbraw/zinc/14/84/75/214148475.db2.gz PQKUYUZKAOVFOJ-SFHVURJKSA-N 1 2 339.395 2.966 40 5 EFBBLO Cc1c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000052835597 214148478 /nfs/dbraw/zinc/14/84/78/214148478.db2.gz PQKUYUZKAOVFOJ-SFHVURJKSA-N 1 2 339.395 2.966 40 5 EFBBLO O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000301135388 241185455 /nfs/dbraw/zinc/18/54/55/241185455.db2.gz IZMFQSAXELSJII-UHFFFAOYSA-N 1 2 339.395 2.595 40 5 EFBBLO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000079309163 217206021 /nfs/dbraw/zinc/20/60/21/217206021.db2.gz XRXJCKMVZYFQOB-AWEZNQCLSA-N 1 2 346.412 2.963 40 5 EFBBLO Cc1c(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000079309163 217206023 /nfs/dbraw/zinc/20/60/23/217206023.db2.gz XRXJCKMVZYFQOB-AWEZNQCLSA-N 1 2 346.412 2.963 40 5 EFBBLO Cc1nn(C)c(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1[N+](=O)[O-] ZINC000096489021 544559662 /nfs/dbraw/zinc/55/96/62/544559662.db2.gz BTJQHXSVEABVJC-UHFFFAOYSA-N 1 2 340.387 2.518 40 5 EFBBLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000151506881 473466991 /nfs/dbraw/zinc/46/69/91/473466991.db2.gz YBZSVIKCYFZSDZ-ZDUSSCGKSA-N 1 2 343.387 2.815 40 5 EFBBLO Cc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1 ZINC000408567691 476967935 /nfs/dbraw/zinc/96/79/35/476967935.db2.gz HDNHSWFTGWKLMJ-CTSOBWNQSA-N 1 2 337.379 2.563 40 5 EFBBLO Cc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1 ZINC000408567691 476967946 /nfs/dbraw/zinc/96/79/46/476967946.db2.gz HDNHSWFTGWKLMJ-CTSOBWNQSA-N 1 2 337.379 2.563 40 5 EFBBLO CC[N@H+](CC(=O)N[C@@H](C)c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000040087779 213260252 /nfs/dbraw/zinc/26/02/52/213260252.db2.gz TZUZQTNDWABUJB-ZDUSSCGKSA-N 1 2 331.372 2.887 40 5 EFBBLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000040087779 213260256 /nfs/dbraw/zinc/26/02/56/213260256.db2.gz TZUZQTNDWABUJB-ZDUSSCGKSA-N 1 2 331.372 2.887 40 5 EFBBLO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020050373 212097834 /nfs/dbraw/zinc/09/78/34/212097834.db2.gz PAPRQTMPIKYTRE-UHFFFAOYSA-N 1 2 341.367 2.679 40 5 EFBBLO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000079309160 217206070 /nfs/dbraw/zinc/20/60/70/217206070.db2.gz XRXJCKMVZYFQOB-CQSZACIVSA-N 1 2 346.412 2.963 40 5 EFBBLO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000079309160 217206073 /nfs/dbraw/zinc/20/60/73/217206073.db2.gz XRXJCKMVZYFQOB-CQSZACIVSA-N 1 2 346.412 2.963 40 5 EFBBLO COc1ccc(-c2nc([C@@H]([NH3+])c3ccc(C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095534184 473223578 /nfs/dbraw/zinc/22/35/78/473223578.db2.gz JGTSSCBZQQZDPF-HNNXBMFYSA-N 1 2 339.355 2.745 40 5 EFBBLO Cc1ccc([C@@H]([NH3+])c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095534131 473224221 /nfs/dbraw/zinc/22/42/21/473224221.db2.gz UCDOQKIWOBNSAS-MRXNPFEDSA-N 1 2 339.355 2.648 40 5 EFBBLO Cc1nc2cc3ccccc3cc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000033909170 471987507 /nfs/dbraw/zinc/98/75/07/471987507.db2.gz FSBKCHRKAHPVKG-UHFFFAOYSA-N 1 2 337.423 2.580 40 5 EFBBLO C[NH+](C)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000097103185 472447016 /nfs/dbraw/zinc/44/70/16/472447016.db2.gz LABWIVBVBMYONL-UHFFFAOYSA-N 1 2 341.414 2.519 40 5 EFBBLO CC[NH+](CC)Cc1nnc2sc(-c3ccc(C)c([N+](=O)[O-])c3)nn12 ZINC000071260548 472546704 /nfs/dbraw/zinc/54/67/04/472546704.db2.gz ROGVMYGJJFXUMH-UHFFFAOYSA-N 1 2 346.416 2.911 40 5 EFBBLO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074314301 472984475 /nfs/dbraw/zinc/98/44/75/472984475.db2.gz JJLDHXOFPYPGRL-CYBMUJFWSA-N 1 2 332.385 2.654 40 5 EFBBLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000074314301 472984480 /nfs/dbraw/zinc/98/44/80/472984480.db2.gz JJLDHXOFPYPGRL-CYBMUJFWSA-N 1 2 332.385 2.654 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135523716 473087625 /nfs/dbraw/zinc/08/76/25/473087625.db2.gz XQBBZFKZMUSCNQ-KBPBESRZSA-N 1 2 328.821 2.955 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135523716 473087630 /nfs/dbraw/zinc/08/76/30/473087630.db2.gz XQBBZFKZMUSCNQ-KBPBESRZSA-N 1 2 328.821 2.955 40 5 EFBBLO COc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000096489941 473446471 /nfs/dbraw/zinc/44/64/71/473446471.db2.gz FSNNAAJUZPRSDV-GFCCVEGCSA-N 1 2 333.319 2.795 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]12 ZINC000408565696 476968739 /nfs/dbraw/zinc/96/87/39/476968739.db2.gz LSHZIRMGZVNUKJ-RMJJICAUSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1)[C@H]1CCC[N@H+]12 ZINC000408565696 476968741 /nfs/dbraw/zinc/96/87/41/476968741.db2.gz LSHZIRMGZVNUKJ-RMJJICAUSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]12 ZINC000408565696 476968747 /nfs/dbraw/zinc/96/87/47/476968747.db2.gz LSHZIRMGZVNUKJ-RMJJICAUSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1)[C@H]1CCC[N@H+]12 ZINC000408565696 476968753 /nfs/dbraw/zinc/96/87/53/476968753.db2.gz LSHZIRMGZVNUKJ-RMJJICAUSA-N 1 2 349.390 2.741 40 5 EFBBLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079353569 217213623 /nfs/dbraw/zinc/21/36/23/217213623.db2.gz RRZYNXQEOOMOJG-AWEZNQCLSA-N 1 2 340.383 2.509 40 5 EFBBLO Cc1cnc([C@H](C)[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)s1 ZINC000330032394 279021441 /nfs/dbraw/zinc/02/14/41/279021441.db2.gz MLTXOMCMYZNXCA-LBPRGKRZSA-N 1 2 347.444 2.825 40 5 EFBBLO Cc1ccc(C(=O)CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000161668468 323222550 /nfs/dbraw/zinc/22/25/50/323222550.db2.gz SJHDVVTVWCLMRG-UHFFFAOYSA-N 1 2 325.368 2.929 40 5 EFBBLO Cc1ccc(C(=O)CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000161668468 323222552 /nfs/dbraw/zinc/22/25/52/323222552.db2.gz SJHDVVTVWCLMRG-UHFFFAOYSA-N 1 2 325.368 2.929 40 5 EFBBLO CC[NH+](CC)Cc1nnc2sc(-c3cccc([N+](=O)[O-])c3)nn12 ZINC000071260545 472545695 /nfs/dbraw/zinc/54/56/95/472545695.db2.gz QQZOESPMVPJIKS-UHFFFAOYSA-N 1 2 332.389 2.603 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135523740 473088057 /nfs/dbraw/zinc/08/80/57/473088057.db2.gz XQBBZFKZMUSCNQ-UONOGXRCSA-N 1 2 328.821 2.955 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135523740 473088066 /nfs/dbraw/zinc/08/80/66/473088066.db2.gz XQBBZFKZMUSCNQ-UONOGXRCSA-N 1 2 328.821 2.955 40 5 EFBBLO COc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1C ZINC000190792883 473395330 /nfs/dbraw/zinc/39/53/30/473395330.db2.gz VFAKXVPDYMOGCI-UHFFFAOYSA-N 1 2 344.371 2.586 40 5 EFBBLO COc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)cc1[N+](=O)[O-] ZINC000096489939 473445606 /nfs/dbraw/zinc/44/56/06/473445606.db2.gz FSNNAAJUZPRSDV-LBPRGKRZSA-N 1 2 333.319 2.795 40 5 EFBBLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000253370613 474727922 /nfs/dbraw/zinc/72/79/22/474727922.db2.gz TWDHPHVDAXLJIO-BLLLJJGKSA-N 1 2 344.371 2.665 40 5 EFBBLO Cc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1 ZINC000408567692 476968698 /nfs/dbraw/zinc/96/86/98/476968698.db2.gz HDNHSWFTGWKLMJ-SJIKZXFPSA-N 1 2 337.379 2.563 40 5 EFBBLO Cc1ccc([C@@H]2[C@H](C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408567692 476968701 /nfs/dbraw/zinc/96/87/01/476968701.db2.gz HDNHSWFTGWKLMJ-SJIKZXFPSA-N 1 2 337.379 2.563 40 5 EFBBLO CC[NH+](CC)Cc1nnc2sc(-c3ccc([N+](=O)[O-])c(C)c3)nn12 ZINC000071260547 203088958 /nfs/dbraw/zinc/08/89/58/203088958.db2.gz UJQMYLNGAKBKSC-UHFFFAOYSA-N 1 2 346.416 2.911 40 5 EFBBLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000153666660 285091640 /nfs/dbraw/zinc/09/16/40/285091640.db2.gz ZBZWRUOJWYESQE-UHFFFAOYSA-N 1 2 348.790 2.671 40 5 EFBBLO O=[N+]([O-])c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000078619310 304803082 /nfs/dbraw/zinc/80/30/82/304803082.db2.gz NHRYWYUSWDBQBB-AWEZNQCLSA-N 1 2 339.823 2.939 40 5 EFBBLO COc1c(C)c[nH+]c(Cn2c3ccc([N+](=O)[O-])cc3oc2=O)c1C ZINC000096411907 473390771 /nfs/dbraw/zinc/39/07/71/473390771.db2.gz UDVBVZPUCUXYRF-UHFFFAOYSA-N 1 2 329.312 2.571 40 5 EFBBLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC000007285669 471603299 /nfs/dbraw/zinc/60/32/99/471603299.db2.gz PGMDJBVCUPYMEB-UHFFFAOYSA-N 1 2 337.383 2.565 40 5 EFBBLO CC[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000008055351 471658201 /nfs/dbraw/zinc/65/82/01/471658201.db2.gz NJTMXGAUFVSJTB-UHFFFAOYSA-N 1 2 339.395 2.968 40 5 EFBBLO CNc1ccc(C(=O)OCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000016538334 471940560 /nfs/dbraw/zinc/94/05/60/471940560.db2.gz SXLFRHUJIBOAGH-UHFFFAOYSA-N 1 2 340.339 2.950 40 5 EFBBLO O=[N+]([O-])c1ccc(-c2nnc3n2CN(c2cccc[nH+]2)CS3)cc1 ZINC000024716580 472064972 /nfs/dbraw/zinc/06/49/72/472064972.db2.gz IVAAFMYBWSWSFV-UHFFFAOYSA-N 1 2 340.368 2.776 40 5 EFBBLO CCc1nn(C)c(NCCn2c(C)[nH+]c3ccccc32)c1[N+](=O)[O-] ZINC000092827357 472994321 /nfs/dbraw/zinc/99/43/21/472994321.db2.gz AKEZFBTVUKYGNQ-UHFFFAOYSA-N 1 2 328.376 2.661 40 5 EFBBLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)s1 ZINC000330032393 475188226 /nfs/dbraw/zinc/18/82/26/475188226.db2.gz MLTXOMCMYZNXCA-GFCCVEGCSA-N 1 2 347.444 2.825 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]12 ZINC000408565690 476968143 /nfs/dbraw/zinc/96/81/43/476968143.db2.gz LSHZIRMGZVNUKJ-GNBUJSLZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]12 ZINC000408565690 476968153 /nfs/dbraw/zinc/96/81/53/476968153.db2.gz LSHZIRMGZVNUKJ-GNBUJSLZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]12 ZINC000408565690 476968163 /nfs/dbraw/zinc/96/81/63/476968163.db2.gz LSHZIRMGZVNUKJ-GNBUJSLZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]12 ZINC000408565690 476968170 /nfs/dbraw/zinc/96/81/70/476968170.db2.gz LSHZIRMGZVNUKJ-GNBUJSLZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]12 ZINC000408565698 476968722 /nfs/dbraw/zinc/96/87/22/476968722.db2.gz LSHZIRMGZVNUKJ-XFKSJGNHSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1)[C@@H]1CCC[N@H+]12 ZINC000408565698 476968726 /nfs/dbraw/zinc/96/87/26/476968726.db2.gz LSHZIRMGZVNUKJ-XFKSJGNHSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]12 ZINC000408565698 476968728 /nfs/dbraw/zinc/96/87/28/476968728.db2.gz LSHZIRMGZVNUKJ-XFKSJGNHSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1)[C@@H]1CCC[N@H+]12 ZINC000408565698 476968734 /nfs/dbraw/zinc/96/87/34/476968734.db2.gz LSHZIRMGZVNUKJ-XFKSJGNHSA-N 1 2 349.390 2.741 40 5 EFBBLO CC[NH+](CC)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000408718133 476972230 /nfs/dbraw/zinc/97/22/30/476972230.db2.gz LLQIVLHNUZVWMQ-UKTHLTGXSA-N 1 2 335.385 2.930 40 5 EFBBLO COc1ccc(-c2nc([C@H]([NH3+])c3ccc(C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095534185 473223617 /nfs/dbraw/zinc/22/36/17/473223617.db2.gz JGTSSCBZQQZDPF-OAHLLOKOSA-N 1 2 339.355 2.745 40 5 EFBBLO O=[N+]([O-])c1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000217501248 474142307 /nfs/dbraw/zinc/14/23/07/474142307.db2.gz OJTJELPFVWZRIG-INIZCTEOSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1ccccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000217501248 474142314 /nfs/dbraw/zinc/14/23/14/474142314.db2.gz OJTJELPFVWZRIG-INIZCTEOSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000267955697 474723576 /nfs/dbraw/zinc/72/35/76/474723576.db2.gz SGJTXOGJJZYWCH-GDBMZVCRSA-N 1 2 348.424 2.981 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000267955697 474723580 /nfs/dbraw/zinc/72/35/80/474723580.db2.gz SGJTXOGJJZYWCH-GDBMZVCRSA-N 1 2 348.424 2.981 40 5 EFBBLO CC[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000072683489 216292598 /nfs/dbraw/zinc/29/25/98/216292598.db2.gz ZDYWPVNRYHGNLV-HNNXBMFYSA-N 1 2 334.401 2.565 40 5 EFBBLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000022186935 212281446 /nfs/dbraw/zinc/28/14/46/212281446.db2.gz XXWZLTSYRKJQKQ-UHFFFAOYSA-N 1 2 332.791 2.965 40 5 EFBBLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079577576 217242155 /nfs/dbraw/zinc/24/21/55/217242155.db2.gz SFNOZHFVZRBZDB-SECBINFHSA-N 1 2 342.277 2.629 40 5 EFBBLO COC(=O)c1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000058006599 472498817 /nfs/dbraw/zinc/49/88/17/472498817.db2.gz CDUJAAHWYDWLAR-UHFFFAOYSA-N 1 2 343.339 2.954 40 5 EFBBLO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000096426314 473405285 /nfs/dbraw/zinc/40/52/85/473405285.db2.gz NIYDWILNUDPEAT-UHFFFAOYSA-N 1 2 343.383 2.816 40 5 EFBBLO Cc1ccc([C@H]2C([N+](=O)[O-])[C@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1 ZINC000408567698 476968785 /nfs/dbraw/zinc/96/87/85/476968785.db2.gz HDNHSWFTGWKLMJ-ZQINRCPSSA-N 1 2 337.379 2.563 40 5 EFBBLO Cc1ccc([C@@H]2[C@H](C)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408567698 476968788 /nfs/dbraw/zinc/96/87/88/476968788.db2.gz HDNHSWFTGWKLMJ-ZQINRCPSSA-N 1 2 337.379 2.563 40 5 EFBBLO Cc1cnc(N(C)Cc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000078658660 217097039 /nfs/dbraw/zinc/09/70/39/217097039.db2.gz NHTIXDGPHJWUEQ-UHFFFAOYSA-N 1 2 329.282 2.693 40 5 EFBBLO Cc1nn(C)c(NCCCc2[nH+]c3ccccc3n2C)c1[N+](=O)[O-] ZINC000080760477 217330883 /nfs/dbraw/zinc/33/08/83/217330883.db2.gz CLZLBCONDVWGCN-UHFFFAOYSA-N 1 2 328.376 2.568 40 5 EFBBLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000010737246 211186317 /nfs/dbraw/zinc/18/63/17/211186317.db2.gz DBBKVLYUCXJSBL-UHFFFAOYSA-N 1 2 330.369 2.744 40 5 EFBBLO CC(C)OC(=O)c1cc(Cl)c(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000070462663 275968552 /nfs/dbraw/zinc/96/85/52/275968552.db2.gz LDPOWYDDQKWPFA-UHFFFAOYSA-N 1 2 341.795 2.565 40 5 EFBBLO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000095469766 473210704 /nfs/dbraw/zinc/21/07/04/473210704.db2.gz RNNXJRDRXVVERB-UHFFFAOYSA-N 1 2 337.379 2.542 40 5 EFBBLO O=C(C[N@H+]1CCc2ccccc2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000095469766 473210707 /nfs/dbraw/zinc/21/07/07/473210707.db2.gz RNNXJRDRXVVERB-UHFFFAOYSA-N 1 2 337.379 2.542 40 5 EFBBLO Cc1ccc([C@H]([NH3+])c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095534130 473223059 /nfs/dbraw/zinc/22/30/59/473223059.db2.gz UCDOQKIWOBNSAS-INIZCTEOSA-N 1 2 339.355 2.648 40 5 EFBBLO CCOC(=O)c1cc(Cl)c(N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000070462686 472499163 /nfs/dbraw/zinc/49/91/63/472499163.db2.gz KLQAHSGYOCVPIH-UHFFFAOYSA-N 1 2 341.795 2.567 40 5 EFBBLO CC[NH+](CC)Cc1nnc2sc(-c3ccccc3[N+](=O)[O-])nn12 ZINC000071260544 472546083 /nfs/dbraw/zinc/54/60/83/472546083.db2.gz FXIKHSXSWMUZHH-UHFFFAOYSA-N 1 2 332.389 2.603 40 5 EFBBLO C[NH+]1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)CC1 ZINC000059843405 472630304 /nfs/dbraw/zinc/63/03/04/472630304.db2.gz RYJPYULZMRPYSG-UHFFFAOYSA-N 1 2 349.774 2.896 40 5 EFBBLO Cc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000193525350 473792931 /nfs/dbraw/zinc/79/29/31/473792931.db2.gz QJXPTXIVXBAFFM-UHFFFAOYSA-N 1 2 341.371 2.652 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000253421700 474749248 /nfs/dbraw/zinc/74/92/48/474749248.db2.gz FFLQSCBOGPXHRI-PKOBYXMFSA-N 1 2 342.395 2.919 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000253421700 474749259 /nfs/dbraw/zinc/74/92/59/474749259.db2.gz FFLQSCBOGPXHRI-PKOBYXMFSA-N 1 2 342.395 2.919 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000253421697 474749341 /nfs/dbraw/zinc/74/93/41/474749341.db2.gz FFLQSCBOGPXHRI-MJGOQNOKSA-N 1 2 342.395 2.919 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000253421697 474749348 /nfs/dbraw/zinc/74/93/48/474749348.db2.gz FFLQSCBOGPXHRI-MJGOQNOKSA-N 1 2 342.395 2.919 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1)[C@H]1CCC[N@@H+]12 ZINC000408565693 476967840 /nfs/dbraw/zinc/96/78/40/476967840.db2.gz LSHZIRMGZVNUKJ-MLYOOKFZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1ccccc1)[C@H]1CCC[N@H+]12 ZINC000408565693 476967853 /nfs/dbraw/zinc/96/78/53/476967853.db2.gz LSHZIRMGZVNUKJ-MLYOOKFZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1)[C@H]1CCC[N@@H+]12 ZINC000408565693 476967858 /nfs/dbraw/zinc/96/78/58/476967858.db2.gz LSHZIRMGZVNUKJ-MLYOOKFZSA-N 1 2 349.390 2.741 40 5 EFBBLO O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1)[C@H]1CCC[N@H+]12 ZINC000408565693 476967865 /nfs/dbraw/zinc/96/78/65/476967865.db2.gz LSHZIRMGZVNUKJ-MLYOOKFZSA-N 1 2 349.390 2.741 40 5 EFBBLO Cc1nc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000095414906 218353185 /nfs/dbraw/zinc/35/31/85/218353185.db2.gz KWJPCCSRNXMZFQ-UHFFFAOYSA-N 1 2 329.282 2.693 40 5 EFBBLO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000078619307 280366101 /nfs/dbraw/zinc/36/61/01/280366101.db2.gz NHRYWYUSWDBQBB-CQSZACIVSA-N 1 2 339.823 2.939 40 5 EFBBLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000095533350 473222491 /nfs/dbraw/zinc/22/24/91/473222491.db2.gz HOLIELMDOMNSEK-CQSZACIVSA-N 1 2 343.318 2.576 40 5 EFBBLO COc1ccc(-c2nc([C@H]([NH3+])c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095533350 473222497 /nfs/dbraw/zinc/22/24/97/473222497.db2.gz HOLIELMDOMNSEK-CQSZACIVSA-N 1 2 343.318 2.576 40 5 EFBBLO CCc1nnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)[nH]1 ZINC000190713801 473370168 /nfs/dbraw/zinc/37/01/68/473370168.db2.gz DIISJUBGKROVDR-UHFFFAOYSA-N 1 2 345.403 2.664 40 5 EFBBLO CCc1n[nH]c(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)n1 ZINC000190713801 473370177 /nfs/dbraw/zinc/37/01/77/473370177.db2.gz DIISJUBGKROVDR-UHFFFAOYSA-N 1 2 345.403 2.664 40 5 EFBBLO CCc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)n[nH]1 ZINC000190713801 473370181 /nfs/dbraw/zinc/37/01/81/473370181.db2.gz DIISJUBGKROVDR-UHFFFAOYSA-N 1 2 345.403 2.664 40 5 EFBBLO NN=c1nc[nH]c([NH2+]N(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000005002732 471482982 /nfs/dbraw/zinc/48/29/82/471482982.db2.gz FVCMHXUORYOABI-UHFFFAOYSA-N 1 2 337.343 2.836 40 5 EFBBLO COc1cc(NC(=O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000408555796 476967401 /nfs/dbraw/zinc/96/74/01/476967401.db2.gz IPFUJXPQAKFLSO-UHFFFAOYSA-N 1 2 341.367 2.600 40 5 EFBBLO COc1cc(NC(=O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000408555796 476967406 /nfs/dbraw/zinc/96/74/06/476967406.db2.gz IPFUJXPQAKFLSO-UHFFFAOYSA-N 1 2 341.367 2.600 40 5 EFBBLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])sc1C ZINC000072865823 216322977 /nfs/dbraw/zinc/32/29/77/216322977.db2.gz YWUQSTWTIQSAJM-UHFFFAOYSA-N 1 2 348.428 2.792 40 5 EFBBLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000217504275 241254775 /nfs/dbraw/zinc/25/47/75/241254775.db2.gz ZMPJPIOISWGOEG-SFHVURJKSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000217504275 241254783 /nfs/dbraw/zinc/25/47/83/241254783.db2.gz ZMPJPIOISWGOEG-SFHVURJKSA-N 1 2 328.368 2.875 40 5 EFBBLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000079352951 217213843 /nfs/dbraw/zinc/21/38/43/217213843.db2.gz NPKUIUBOYAETIF-AWEZNQCLSA-N 1 2 340.383 2.509 40 5 EFBBLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079577572 217242284 /nfs/dbraw/zinc/24/22/84/217242284.db2.gz SFNOZHFVZRBZDB-VIFPVBQESA-N 1 2 342.277 2.629 40 5 EFBBLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000097378784 219020075 /nfs/dbraw/zinc/02/00/75/219020075.db2.gz XWGJXPVKBVDUAO-LLVKDONJSA-N 1 2 335.385 2.768 40 5 EFBBLO C[N@H+](CCOc1cccc(F)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053185903 214169120 /nfs/dbraw/zinc/16/91/20/214169120.db2.gz NKHTXLCOHHIWOA-UHFFFAOYSA-N 1 2 347.346 2.683 40 5 EFBBLO C[N@@H+](CCOc1cccc(F)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053185903 214169124 /nfs/dbraw/zinc/16/91/24/214169124.db2.gz NKHTXLCOHHIWOA-UHFFFAOYSA-N 1 2 347.346 2.683 40 5 EFBBLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1-n1cc[nH+]c1 ZINC000022519010 212303918 /nfs/dbraw/zinc/30/39/18/212303918.db2.gz WBAGMIPWVPROAB-UHFFFAOYSA-N 1 2 336.351 2.639 40 5 EFBBLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079353572 217212999 /nfs/dbraw/zinc/21/29/99/217212999.db2.gz RRZYNXQEOOMOJG-CQSZACIVSA-N 1 2 340.383 2.509 40 5 EFBBLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000079352957 217213538 /nfs/dbraw/zinc/21/35/38/217213538.db2.gz NPKUIUBOYAETIF-CQSZACIVSA-N 1 2 340.383 2.509 40 5 EFBBLO Cc1ccc([C@@H]([NH3+])c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095534153 473222966 /nfs/dbraw/zinc/22/29/66/473222966.db2.gz OZQKLCQCMNZRMW-MRXNPFEDSA-N 1 2 339.355 2.648 40 5 EFBBLO [NH3+][C@H](Cc1ccccc1)c1nnc(COc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000095534879 473223990 /nfs/dbraw/zinc/22/39/90/473223990.db2.gz IHDNUSUOGXZYKH-OAHLLOKOSA-N 1 2 339.355 2.534 40 5 EFBBLO NC(=O)c1ccc(C[NH2+]C2(c3nccs3)CCCC2)c([N+](=O)[O-])c1 ZINC000081577916 473225156 /nfs/dbraw/zinc/22/51/56/473225156.db2.gz OEOFLGMEJMRDRH-UHFFFAOYSA-N 1 2 346.412 2.709 40 5 EFBBLO CC[NH+](CC)Cc1nnc2sc(-c3cccc([N+](=O)[O-])c3C)nn12 ZINC000071260549 472546338 /nfs/dbraw/zinc/54/63/38/472546338.db2.gz AHJSNQKRNRXFTH-UHFFFAOYSA-N 1 2 346.416 2.911 40 5 EFBBLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000132370605 472729966 /nfs/dbraw/zinc/72/99/66/472729966.db2.gz RBXIIWWBNORCMF-UHFFFAOYSA-N 1 2 341.776 2.858 40 5 EFBBLO O=[N+]([O-])c1ccccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000217501340 474141745 /nfs/dbraw/zinc/14/17/45/474141745.db2.gz OJTJELPFVWZRIG-MRXNPFEDSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1ccccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000217501340 474141751 /nfs/dbraw/zinc/14/17/51/474141751.db2.gz OJTJELPFVWZRIG-MRXNPFEDSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267955699 474723019 /nfs/dbraw/zinc/72/30/19/474723019.db2.gz SGJTXOGJJZYWCH-GOEBONIOSA-N 1 2 348.424 2.981 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267955699 474723023 /nfs/dbraw/zinc/72/30/23/474723023.db2.gz SGJTXOGJJZYWCH-GOEBONIOSA-N 1 2 348.424 2.981 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000267955703 474724002 /nfs/dbraw/zinc/72/40/02/474724002.db2.gz SGJTXOGJJZYWCH-ZBFHGGJFSA-N 1 2 348.424 2.981 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000267955703 474724009 /nfs/dbraw/zinc/72/40/09/474724009.db2.gz SGJTXOGJJZYWCH-ZBFHGGJFSA-N 1 2 348.424 2.981 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000253421693 474749596 /nfs/dbraw/zinc/74/95/96/474749596.db2.gz FFLQSCBOGPXHRI-HKUYNNGSSA-N 1 2 342.395 2.919 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000253421693 474749601 /nfs/dbraw/zinc/74/96/01/474749601.db2.gz FFLQSCBOGPXHRI-HKUYNNGSSA-N 1 2 342.395 2.919 40 5 EFBBLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000217504350 241255075 /nfs/dbraw/zinc/25/50/75/241255075.db2.gz ZMPJPIOISWGOEG-GOSISDBHSA-N 1 2 328.368 2.875 40 5 EFBBLO O=[N+]([O-])c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000217504350 241255080 /nfs/dbraw/zinc/25/50/80/241255080.db2.gz ZMPJPIOISWGOEG-GOSISDBHSA-N 1 2 328.368 2.875 40 5 EFBBLO C[NH+]1CCN(c2c(Cl)cc(Br)cc2[N+](=O)[O-])CC1 ZINC000045885950 277112075 /nfs/dbraw/zinc/11/20/75/277112075.db2.gz HHRWXKYHAZPTFL-UHFFFAOYSA-N 1 2 334.601 2.763 40 5 EFBBLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000026334479 472131731 /nfs/dbraw/zinc/13/17/31/472131731.db2.gz AHBHMIBXDYWEEA-GFCCVEGCSA-N 1 2 343.383 2.895 40 5 EFBBLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000026334479 472131735 /nfs/dbraw/zinc/13/17/35/472131735.db2.gz AHBHMIBXDYWEEA-GFCCVEGCSA-N 1 2 343.383 2.895 40 5 EFBBLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000097097219 472445370 /nfs/dbraw/zinc/44/53/70/472445370.db2.gz TXGZINSVYIWXEA-UHFFFAOYSA-N 1 2 339.348 2.653 40 5 EFBBLO CC[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Br)CC1 ZINC000045886025 472480624 /nfs/dbraw/zinc/48/06/24/472480624.db2.gz SVUQFHYEUMNBTD-UHFFFAOYSA-N 1 2 328.210 2.808 40 5 EFBBLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000151506939 473467188 /nfs/dbraw/zinc/46/71/88/473467188.db2.gz YBZSVIKCYFZSDZ-CYBMUJFWSA-N 1 2 343.387 2.815 40 5 EFBBLO Cc1cc(NC(=O)CCn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051451947 214095489 /nfs/dbraw/zinc/09/54/89/214095489.db2.gz RRUNGKSFFCMKBV-UHFFFAOYSA-N 1 2 341.327 2.784 40 5 EFBBLO CC[N@H+](CC(=O)N[C@H](C)c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000040087780 202168432 /nfs/dbraw/zinc/16/84/32/202168432.db2.gz TZUZQTNDWABUJB-CYBMUJFWSA-N 1 2 331.372 2.887 40 5 EFBBLO CC[N@@H+](CC(=O)N[C@H](C)c1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000040087780 202168436 /nfs/dbraw/zinc/16/84/36/202168436.db2.gz TZUZQTNDWABUJB-CYBMUJFWSA-N 1 2 331.372 2.887 40 5 EFBBLO CCc1cc([N+](=O)[O-])cc(Br)c1N1CC[NH+](C)CC1 ZINC000226316045 205126349 /nfs/dbraw/zinc/12/63/49/205126349.db2.gz RACVGNWXNFRITR-UHFFFAOYSA-N 1 2 328.210 2.672 40 5 EFBBLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000253370614 284571943 /nfs/dbraw/zinc/57/19/43/284571943.db2.gz TWDHPHVDAXLJIO-MLGOLLRUSA-N 1 2 344.371 2.665 40 5 EFBBLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000097238211 284572960 /nfs/dbraw/zinc/57/29/60/284572960.db2.gz TWDHPHVDAXLJIO-LRDDRELGSA-N 1 2 344.371 2.665 40 5 EFBBLO Cc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000097236817 219003488 /nfs/dbraw/zinc/00/34/88/219003488.db2.gz OTLYWTPOEYYBLJ-UHFFFAOYSA-N 1 2 326.400 2.616 40 5 EFBBLO Cc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000097236817 219003490 /nfs/dbraw/zinc/00/34/90/219003490.db2.gz OTLYWTPOEYYBLJ-UHFFFAOYSA-N 1 2 326.400 2.616 40 5 EFBBLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000059371830 132804526 /nfs/dbraw/zinc/80/45/26/132804526.db2.gz HFTCTIYQCLLJSB-UHFFFAOYSA-N 1 2 345.374 2.935 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247342166 474124899 /nfs/dbraw/zinc/12/48/99/474124899.db2.gz XQBBZFKZMUSCNQ-ZIAGYGMSSA-N 1 2 328.821 2.955 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247342166 474124906 /nfs/dbraw/zinc/12/49/06/474124906.db2.gz XQBBZFKZMUSCNQ-ZIAGYGMSSA-N 1 2 328.821 2.955 40 5 EFBBLO O=[N+]([O-])c1ccc2c(c1N1CCCN(c3cccc[nH+]3)CC1)CCN2 ZINC000225515230 474221463 /nfs/dbraw/zinc/22/14/63/474221463.db2.gz FNPRHFMVLOGMIT-UHFFFAOYSA-N 1 2 339.399 2.675 40 5 EFBBLO CC[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nccs1 ZINC000072683491 216292637 /nfs/dbraw/zinc/29/26/37/216292637.db2.gz ZDYWPVNRYHGNLV-OAHLLOKOSA-N 1 2 334.401 2.565 40 5 EFBBLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020108130 212101455 /nfs/dbraw/zinc/10/14/55/212101455.db2.gz WZRVQPYJNYFLJW-UHFFFAOYSA-N 1 2 336.351 2.639 40 5 EFBBLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000097238209 219003525 /nfs/dbraw/zinc/00/35/25/219003525.db2.gz TWDHPHVDAXLJIO-WBMJQRKESA-N 1 2 344.371 2.665 40 5 EFBBLO CC[NH+]1CCN(c2c(Br)cc(C)cc2[N+](=O)[O-])CC1 ZINC000045886044 276387740 /nfs/dbraw/zinc/38/77/40/276387740.db2.gz JXGNVZPYXAVLHD-UHFFFAOYSA-N 1 2 328.210 2.808 40 5 EFBBLO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000026334481 295398049 /nfs/dbraw/zinc/39/80/49/295398049.db2.gz AHBHMIBXDYWEEA-LBPRGKRZSA-N 1 2 343.383 2.895 40 5 EFBBLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000026334481 295398051 /nfs/dbraw/zinc/39/80/51/295398051.db2.gz AHBHMIBXDYWEEA-LBPRGKRZSA-N 1 2 343.383 2.895 40 5 EFBBLO [NH3+][C@@H](Cc1ccccc1)c1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000095534900 473223299 /nfs/dbraw/zinc/22/32/99/473223299.db2.gz JDSAXIHFMKNANA-HNNXBMFYSA-N 1 2 339.355 2.534 40 5 EFBBLO CC(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000008177722 471669465 /nfs/dbraw/zinc/66/94/65/471669465.db2.gz OZPXMEKHDIZJEY-UHFFFAOYSA-N 1 2 326.356 2.519 40 5 EFBBLO COc1ccc([C@@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn2C)cc1 ZINC000195506871 474084956 /nfs/dbraw/zinc/08/49/56/474084956.db2.gz XADSNKQLTCOUDL-CYBMUJFWSA-N 1 2 345.384 2.995 40 5 EFBBLO COc1ccc([C@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn2C)cc1 ZINC000195506873 474085664 /nfs/dbraw/zinc/08/56/64/474085664.db2.gz XADSNKQLTCOUDL-ZDUSSCGKSA-N 1 2 345.384 2.995 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000267955701 474723939 /nfs/dbraw/zinc/72/39/39/474723939.db2.gz SGJTXOGJJZYWCH-HOCLYGCPSA-N 1 2 348.424 2.981 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000267955701 474723947 /nfs/dbraw/zinc/72/39/47/474723947.db2.gz SGJTXOGJJZYWCH-HOCLYGCPSA-N 1 2 348.424 2.981 40 5 EFBBLO Cc1ccc([C@H]2C([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1 ZINC000408567694 476968800 /nfs/dbraw/zinc/96/88/00/476968800.db2.gz HDNHSWFTGWKLMJ-SPVIKVHDSA-N 1 2 337.379 2.563 40 5 EFBBLO Cc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3([NH2+][C@H]2C)C(=O)Nc2ccccc23)cc1 ZINC000408567694 476968806 /nfs/dbraw/zinc/96/88/06/476968806.db2.gz HDNHSWFTGWKLMJ-SPVIKVHDSA-N 1 2 337.379 2.563 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247342152 285116855 /nfs/dbraw/zinc/11/68/55/285116855.db2.gz XQBBZFKZMUSCNQ-KGLIPLIRSA-N 1 2 328.821 2.955 40 5 EFBBLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247342152 285116859 /nfs/dbraw/zinc/11/68/59/285116859.db2.gz XQBBZFKZMUSCNQ-KGLIPLIRSA-N 1 2 328.821 2.955 40 5 EFBBLO Cc1cc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000119428585 221317988 /nfs/dbraw/zinc/31/79/88/221317988.db2.gz PUWZCGMWSAGQBC-UHFFFAOYSA-N 1 2 341.371 2.652 40 5 EFBBLO [NH3+][C@H](Cc1ccccc1)c1nnc(COc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000095534901 473223178 /nfs/dbraw/zinc/22/31/78/473223178.db2.gz JDSAXIHFMKNANA-OAHLLOKOSA-N 1 2 339.355 2.534 40 5 EFBBLO [NH3+][C@@H](Cc1ccccc1)c1nnc(COc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000095534878 473223504 /nfs/dbraw/zinc/22/35/04/473223504.db2.gz IHDNUSUOGXZYKH-HNNXBMFYSA-N 1 2 339.355 2.534 40 5 EFBBLO Cc1ccc([C@H]([NH3+])c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095534152 473223826 /nfs/dbraw/zinc/22/38/26/473223826.db2.gz OZQKLCQCMNZRMW-INIZCTEOSA-N 1 2 339.355 2.648 40 5 EFBBLO Cc1[nH+]c2ccccc2n1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000012659126 471788919 /nfs/dbraw/zinc/78/89/19/471788919.db2.gz XTMZENHYYINRNH-UHFFFAOYSA-N 1 2 325.324 2.996 40 5 EFBBLO O=[N+]([O-])c1ccccc1-c1nn2c(C[NH+]3CCCCC3)nnc2s1 ZINC000071260519 472546750 /nfs/dbraw/zinc/54/67/50/472546750.db2.gz VVLXANCLEGZDKS-UHFFFAOYSA-N 1 2 344.400 2.747 40 5 EFBBLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000096502034 473454045 /nfs/dbraw/zinc/45/40/45/473454045.db2.gz ALCOKMIKKKZYGQ-INIZCTEOSA-N 1 2 349.412 2.534 40 5 EFBBLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000096502034 473454049 /nfs/dbraw/zinc/45/40/49/473454049.db2.gz ALCOKMIKKKZYGQ-INIZCTEOSA-N 1 2 349.412 2.534 40 5 EFBBLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000096502036 473454229 /nfs/dbraw/zinc/45/42/29/473454229.db2.gz ALCOKMIKKKZYGQ-MRXNPFEDSA-N 1 2 349.412 2.534 40 5 EFBBLO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000096502036 473454233 /nfs/dbraw/zinc/45/42/33/473454233.db2.gz ALCOKMIKKKZYGQ-MRXNPFEDSA-N 1 2 349.412 2.534 40 5 EFBBLO Cc1c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000052835595 214149417 /nfs/dbraw/zinc/14/94/17/214149417.db2.gz PQKUYUZKAOVFOJ-GOSISDBHSA-N 1 2 339.395 2.966 40 5 EFBBLO Cc1c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000052835595 214149419 /nfs/dbraw/zinc/14/94/19/214149419.db2.gz PQKUYUZKAOVFOJ-GOSISDBHSA-N 1 2 339.395 2.966 40 5 EFBBLO Cn1cc(C[N@H+](C)Cc2ccc(O)c([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000092069121 218115279 /nfs/dbraw/zinc/11/52/79/218115279.db2.gz LFJOXOHWGYTDQA-UHFFFAOYSA-N 1 2 344.293 2.685 40 5 EFBBLO Cn1cc(C[N@@H+](C)Cc2ccc(O)c([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000092069121 218115281 /nfs/dbraw/zinc/11/52/81/218115281.db2.gz LFJOXOHWGYTDQA-UHFFFAOYSA-N 1 2 344.293 2.685 40 5 EFBBLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000097378783 219020537 /nfs/dbraw/zinc/02/05/37/219020537.db2.gz XWGJXPVKBVDUAO-NSHDSACASA-N 1 2 335.385 2.768 40 5 EFBBLO C[NH+]1CCN(c2c(Br)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000045886146 277112079 /nfs/dbraw/zinc/11/20/79/277112079.db2.gz CKVJVRHNUSMWSJ-UHFFFAOYSA-N 1 2 334.601 2.763 40 5 EFBBLO Cc1cc(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000097098221 472444618 /nfs/dbraw/zinc/44/46/18/472444618.db2.gz OLVROHZFYUPHJK-UHFFFAOYSA-N 1 2 338.323 2.841 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000253421695 474749499 /nfs/dbraw/zinc/74/94/99/474749499.db2.gz FFLQSCBOGPXHRI-IEBWSBKVSA-N 1 2 342.395 2.919 40 5 EFBBLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000253421695 474749504 /nfs/dbraw/zinc/74/95/04/474749504.db2.gz FFLQSCBOGPXHRI-IEBWSBKVSA-N 1 2 342.395 2.919 40 5 EFBBLO