smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001158260569 850031077 /nfs/dbraw/zinc/03/10/77/850031077.db2.gz FLJMWTUMBHROPS-JTQLQIEISA-N 2 2 352.395 0.404 20 5 FCBDLP COc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001158260569 850031084 /nfs/dbraw/zinc/03/10/84/850031084.db2.gz FLJMWTUMBHROPS-JTQLQIEISA-N 2 2 352.395 0.404 20 5 FCBDLP Cn1cc[nH+]c1CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572489 248002564 /nfs/dbraw/zinc/00/25/64/248002564.db2.gz FTRLZWRTZHBWOE-CYBMUJFWSA-N 2 2 373.417 0.696 20 5 FCBDLP O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CC[NH+]1CCOCC1 ZINC000178906379 209065087 /nfs/dbraw/zinc/06/50/87/209065087.db2.gz QLBNRCRVITWZKO-ZDUSSCGKSA-N 2 2 354.432 0.679 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797302 488114236 /nfs/dbraw/zinc/11/42/36/488114236.db2.gz OHXQBDOITHXEFE-UHFFFAOYSA-N 2 2 364.450 0.775 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248464902 488497378 /nfs/dbraw/zinc/49/73/78/488497378.db2.gz RIDGFXQFRPWHSV-HOTGVXAUSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248464902 488497380 /nfs/dbraw/zinc/49/73/80/488497380.db2.gz RIDGFXQFRPWHSV-HOTGVXAUSA-N 2 2 365.430 0.989 20 5 FCBDLP C[NH+](C)C1CC[NH+](CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273440284 488651095 /nfs/dbraw/zinc/65/10/95/488651095.db2.gz CSUIOKTZNDSLOS-UHFFFAOYSA-N 2 2 371.463 0.680 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173732010 488845037 /nfs/dbraw/zinc/84/50/37/488845037.db2.gz CZHKXQAXODUYRH-GDBMZVCRSA-N 2 2 353.423 0.196 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173732010 488845038 /nfs/dbraw/zinc/84/50/38/488845038.db2.gz CZHKXQAXODUYRH-GDBMZVCRSA-N 2 2 353.423 0.196 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000474352227 489756699 /nfs/dbraw/zinc/75/66/99/489756699.db2.gz KYZJYYTXUUIXTJ-CQSZACIVSA-N 2 2 366.418 0.482 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000474352227 489756701 /nfs/dbraw/zinc/75/67/01/489756701.db2.gz KYZJYYTXUUIXTJ-CQSZACIVSA-N 2 2 366.418 0.482 20 5 FCBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422974816 490508361 /nfs/dbraw/zinc/50/83/61/490508361.db2.gz ARNOFKPGQFWCAQ-QWHCGFSZSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422975116 490509225 /nfs/dbraw/zinc/50/92/25/490509225.db2.gz ARNOFKPGQFWCAQ-STQMWFEESA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859682 490619605 /nfs/dbraw/zinc/61/96/05/490619605.db2.gz WEPFHYSONPAHDY-GXTWGEPZSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859682 490619609 /nfs/dbraw/zinc/61/96/09/490619609.db2.gz WEPFHYSONPAHDY-GXTWGEPZSA-N 2 2 368.459 0.945 20 5 FCBDLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000486431882 490624258 /nfs/dbraw/zinc/62/42/58/490624258.db2.gz DBRIKBDRACKAFV-ZDUSSCGKSA-N 2 2 361.402 0.430 20 5 FCBDLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000486431882 490624264 /nfs/dbraw/zinc/62/42/64/490624264.db2.gz DBRIKBDRACKAFV-ZDUSSCGKSA-N 2 2 361.402 0.430 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 ZINC000517585018 490913604 /nfs/dbraw/zinc/91/36/04/490913604.db2.gz QQLULKHBSSOTSG-UHFFFAOYSA-N 2 2 362.434 0.860 20 5 FCBDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640864 491488832 /nfs/dbraw/zinc/48/88/32/491488832.db2.gz SSQYJUMVKYCPPN-XJKSGUPXSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640864 491488834 /nfs/dbraw/zinc/48/88/34/491488834.db2.gz SSQYJUMVKYCPPN-XJKSGUPXSA-N 2 2 353.423 0.337 20 5 FCBDLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000582289278 491805780 /nfs/dbraw/zinc/80/57/80/491805780.db2.gz RCTRSFMTMLPZKU-LBPRGKRZSA-N 2 2 365.390 0.796 20 5 FCBDLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000582289278 491805781 /nfs/dbraw/zinc/80/57/81/491805781.db2.gz RCTRSFMTMLPZKU-LBPRGKRZSA-N 2 2 365.390 0.796 20 5 FCBDLP Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559486 492213676 /nfs/dbraw/zinc/21/36/76/492213676.db2.gz JIZWOSJHPLXMBX-CYBMUJFWSA-N 2 2 350.423 0.867 20 5 FCBDLP Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559486 492213678 /nfs/dbraw/zinc/21/36/78/492213678.db2.gz JIZWOSJHPLXMBX-CYBMUJFWSA-N 2 2 350.423 0.867 20 5 FCBDLP Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559486 492213680 /nfs/dbraw/zinc/21/36/80/492213680.db2.gz JIZWOSJHPLXMBX-CYBMUJFWSA-N 2 2 350.423 0.867 20 5 FCBDLP Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559486 492213681 /nfs/dbraw/zinc/21/36/81/492213681.db2.gz JIZWOSJHPLXMBX-CYBMUJFWSA-N 2 2 350.423 0.867 20 5 FCBDLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475086 546951553 /nfs/dbraw/zinc/95/15/53/546951553.db2.gz NBMPOBVEGMQKRI-NHYWBVRUSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475086 546951557 /nfs/dbraw/zinc/95/15/57/546951557.db2.gz NBMPOBVEGMQKRI-NHYWBVRUSA-N 2 2 352.391 0.980 20 5 FCBDLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917198514 1245552073 /nfs/dbraw/zinc/55/20/73/1245552073.db2.gz CNLCPZYMCFPMHW-GJZGRUSLSA-N 2 2 359.430 0.395 20 5 FCBDLP CC(C)(CO)[NH+]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576081995 1272854536 /nfs/dbraw/zinc/85/45/36/1272854536.db2.gz QYGVFWUPVPHANQ-QGZVFWFLSA-N 2 2 350.419 0.684 20 5 FCBDLP COC(=O)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C[NH2+]1 ZINC001164309043 850405751 /nfs/dbraw/zinc/40/57/51/850405751.db2.gz ZKBLSZNJGXSAFU-STQMWFEESA-N 2 2 352.391 0.851 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000473997038 250260985 /nfs/dbraw/zinc/26/09/85/250260985.db2.gz TZKQWXVSDFNHRD-MRXNPFEDSA-N 2 2 353.375 0.303 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000473997038 250260987 /nfs/dbraw/zinc/26/09/87/250260987.db2.gz TZKQWXVSDFNHRD-MRXNPFEDSA-N 2 2 353.375 0.303 20 5 FCBDLP Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000178904317 209065392 /nfs/dbraw/zinc/06/53/92/209065392.db2.gz XUCIERVLCQRKPX-MRXNPFEDSA-N 2 2 362.430 0.926 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000075644920 488398034 /nfs/dbraw/zinc/39/80/34/488398034.db2.gz WBERQHGAROLFNH-CJNGLKHVSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000075644920 488398035 /nfs/dbraw/zinc/39/80/35/488398035.db2.gz WBERQHGAROLFNH-CJNGLKHVSA-N 2 2 353.423 0.337 20 5 FCBDLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000081016460 488438738 /nfs/dbraw/zinc/43/87/38/488438738.db2.gz WNFPKTWKCUTOCN-ZDUSSCGKSA-N 2 2 368.463 0.651 20 5 FCBDLP COc1ccc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000564227168 491295525 /nfs/dbraw/zinc/29/55/25/491295525.db2.gz KOFCUDYUKUCGKP-WCQYABFASA-N 2 2 350.375 0.226 20 5 FCBDLP COc1ccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000564227168 491295528 /nfs/dbraw/zinc/29/55/28/491295528.db2.gz KOFCUDYUKUCGKP-WCQYABFASA-N 2 2 350.375 0.226 20 5 FCBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422974799 490508576 /nfs/dbraw/zinc/50/85/76/490508576.db2.gz AOXYKYBGZZZBBJ-QWHCGFSZSA-N 2 2 372.447 0.230 20 5 FCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544748284 490978785 /nfs/dbraw/zinc/97/87/85/490978785.db2.gz LWMFFRUVZOCEOO-UHFFFAOYSA-N 2 2 350.423 0.670 20 5 FCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544748284 490978788 /nfs/dbraw/zinc/97/87/88/490978788.db2.gz LWMFFRUVZOCEOO-UHFFFAOYSA-N 2 2 350.423 0.670 20 5 FCBDLP Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559487 492213709 /nfs/dbraw/zinc/21/37/09/492213709.db2.gz JIZWOSJHPLXMBX-ZDUSSCGKSA-N 2 2 350.423 0.867 20 5 FCBDLP Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559487 492213711 /nfs/dbraw/zinc/21/37/11/492213711.db2.gz JIZWOSJHPLXMBX-ZDUSSCGKSA-N 2 2 350.423 0.867 20 5 FCBDLP Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559487 492213712 /nfs/dbraw/zinc/21/37/12/492213712.db2.gz JIZWOSJHPLXMBX-ZDUSSCGKSA-N 2 2 350.423 0.867 20 5 FCBDLP Cc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609559487 492213714 /nfs/dbraw/zinc/21/37/14/492213714.db2.gz JIZWOSJHPLXMBX-ZDUSSCGKSA-N 2 2 350.423 0.867 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475175 546951649 /nfs/dbraw/zinc/95/16/49/546951649.db2.gz ZPQUECPRFNKCSI-NHYWBVRUSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475175 546951654 /nfs/dbraw/zinc/95/16/54/546951654.db2.gz ZPQUECPRFNKCSI-NHYWBVRUSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000594822187 547013926 /nfs/dbraw/zinc/01/39/26/547013926.db2.gz RUSNICLUERWHQP-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP COc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000594822187 547013930 /nfs/dbraw/zinc/01/39/30/547013930.db2.gz RUSNICLUERWHQP-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594820386 547014555 /nfs/dbraw/zinc/01/45/55/547014555.db2.gz DJAUFJMDSSXQOG-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594820386 547014556 /nfs/dbraw/zinc/01/45/56/547014556.db2.gz DJAUFJMDSSXQOG-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819078177 1203149999 /nfs/dbraw/zinc/14/99/99/1203149999.db2.gz SWTUAKOORPMOCP-FUHWJXTLSA-N 2 2 364.446 0.624 20 5 FCBDLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000571111790 1211922920 /nfs/dbraw/zinc/92/29/20/1211922920.db2.gz RYPAIYWXKLAYLB-GOSISDBHSA-N 2 2 371.397 0.967 20 5 FCBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591193817 1284313138 /nfs/dbraw/zinc/31/31/38/1284313138.db2.gz XTOLBQCNWSLNCO-UHFFFAOYSA-N 2 2 374.449 0.844 20 5 FCBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591193817 1284313146 /nfs/dbraw/zinc/31/31/46/1284313146.db2.gz XTOLBQCNWSLNCO-UHFFFAOYSA-N 2 2 374.449 0.844 20 5 FCBDLP COC(=O)c1cc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1OC ZINC001169074788 850604488 /nfs/dbraw/zinc/60/44/88/850604488.db2.gz OCCHTEBKMKQCDV-SECBINFHSA-N 2 2 350.331 0.438 20 5 FCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246921664 857605438 /nfs/dbraw/zinc/60/54/38/857605438.db2.gz SQXJGDZOAFTYJI-CQSZACIVSA-N 3 2 351.451 0.642 20 5 FCBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246921664 857605442 /nfs/dbraw/zinc/60/54/42/857605442.db2.gz SQXJGDZOAFTYJI-CQSZACIVSA-N 3 2 351.451 0.642 20 5 FCBDLP CCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300303 /nfs/dbraw/zinc/30/03/03/209300303.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 2 2 352.439 0.978 20 5 FCBDLP CCc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300305 /nfs/dbraw/zinc/30/03/05/209300305.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 2 2 352.439 0.978 20 5 FCBDLP CCc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300308 /nfs/dbraw/zinc/30/03/08/209300308.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 2 2 352.439 0.978 20 5 FCBDLP CCc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192566979 209300310 /nfs/dbraw/zinc/30/03/10/209300310.db2.gz MKQBAIRJXPGJJO-UHFFFAOYSA-N 2 2 352.439 0.978 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC000375236375 217238259 /nfs/dbraw/zinc/23/82/59/217238259.db2.gz FYEKJMCEWUBZPL-UHFFFAOYSA-N 2 2 362.434 0.860 20 5 FCBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000051760076 488142938 /nfs/dbraw/zinc/14/29/38/488142938.db2.gz HCLVKMZYIVWOKR-OAHLLOKOSA-N 2 2 366.418 0.040 20 5 FCBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000051760073 488143554 /nfs/dbraw/zinc/14/35/54/488143554.db2.gz HCLVKMZYIVWOKR-HNNXBMFYSA-N 2 2 366.418 0.040 20 5 FCBDLP C[NH+]1CCC(O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000080881214 488437564 /nfs/dbraw/zinc/43/75/64/488437564.db2.gz GDTGIBILCUZMMT-UHFFFAOYSA-N 2 2 359.386 0.967 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000133389271 488659521 /nfs/dbraw/zinc/65/95/21/488659521.db2.gz VECPXJUAJJOGRI-UHFFFAOYSA-N 2 2 366.466 0.974 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000133389271 488659523 /nfs/dbraw/zinc/65/95/23/488659523.db2.gz VECPXJUAJJOGRI-UHFFFAOYSA-N 2 2 366.466 0.974 20 5 FCBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430611248 489753044 /nfs/dbraw/zinc/75/30/44/489753044.db2.gz NWCRBMHRAGZIIA-OAHLLOKOSA-N 2 2 361.402 0.064 20 5 FCBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430611248 489753049 /nfs/dbraw/zinc/75/30/49/489753049.db2.gz NWCRBMHRAGZIIA-OAHLLOKOSA-N 2 2 361.402 0.064 20 5 FCBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000422931683 490500875 /nfs/dbraw/zinc/50/08/75/490500875.db2.gz CLGDPTUHPDOKQA-WFASDCNBSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422974798 490509200 /nfs/dbraw/zinc/50/92/00/490509200.db2.gz AOXYKYBGZZZBBJ-OLZOCXBDSA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000566114956 491418038 /nfs/dbraw/zinc/41/80/38/491418038.db2.gz ACOVHXVDLRAZSS-CABCVRRESA-N 2 2 353.419 0.892 20 5 FCBDLP O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000574277475 491486225 /nfs/dbraw/zinc/48/62/25/491486225.db2.gz GUPPTDMMPAIADD-UHFFFAOYSA-N 2 2 353.448 0.319 20 5 FCBDLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475084 546951832 /nfs/dbraw/zinc/95/18/32/546951832.db2.gz NBMPOBVEGMQKRI-ABAIWWIYSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475084 546951835 /nfs/dbraw/zinc/95/18/35/546951835.db2.gz NBMPOBVEGMQKRI-ABAIWWIYSA-N 2 2 352.391 0.980 20 5 FCBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000593901936 546994525 /nfs/dbraw/zinc/99/45/25/546994525.db2.gz JWANNQUEXLJGHF-LLVKDONJSA-N 2 2 369.447 0.220 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986634 668968774 /nfs/dbraw/zinc/96/87/74/668968774.db2.gz QSNWOCTXLRBHRT-BFYDXBDKSA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986634 668968777 /nfs/dbraw/zinc/96/87/77/668968777.db2.gz QSNWOCTXLRBHRT-BFYDXBDKSA-N 2 2 351.403 0.787 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001335441983 1259666384 /nfs/dbraw/zinc/66/63/84/1259666384.db2.gz UXRHKJRZYWDSCJ-YSVLISHTSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001335441983 1259666395 /nfs/dbraw/zinc/66/63/95/1259666395.db2.gz UXRHKJRZYWDSCJ-YSVLISHTSA-N 2 2 352.435 0.558 20 5 FCBDLP C[NH+]1CCN(C2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)CC1 ZINC001321038108 1263899265 /nfs/dbraw/zinc/89/92/65/1263899265.db2.gz YMTNLPKDOSDFNV-UHFFFAOYSA-N 2 2 370.413 0.852 20 5 FCBDLP Cn1cc[nH+]c1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567059 248000061 /nfs/dbraw/zinc/00/00/61/248000061.db2.gz PFEYNZNHXFPTDZ-CQSZACIVSA-N 2 2 373.417 0.696 20 5 FCBDLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000079496982 208090953 /nfs/dbraw/zinc/09/09/53/208090953.db2.gz QLMMJYXVCIHYDR-AAEUAGOBSA-N 2 2 354.436 0.261 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371973264 489530990 /nfs/dbraw/zinc/53/09/90/489530990.db2.gz JBBVJTAHVSNCMR-ZDUSSCGKSA-N 2 2 363.418 0.936 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371973264 489530993 /nfs/dbraw/zinc/53/09/93/489530993.db2.gz JBBVJTAHVSNCMR-ZDUSSCGKSA-N 2 2 363.418 0.936 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000474352225 489757080 /nfs/dbraw/zinc/75/70/80/489757080.db2.gz KYZJYYTXUUIXTJ-AWEZNQCLSA-N 2 2 366.418 0.482 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000474352225 489757084 /nfs/dbraw/zinc/75/70/84/489757084.db2.gz KYZJYYTXUUIXTJ-AWEZNQCLSA-N 2 2 366.418 0.482 20 5 FCBDLP O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1CC[NH+]1CCOCC1 ZINC000478258905 490012256 /nfs/dbraw/zinc/01/22/56/490012256.db2.gz PIUCCMBLCJMZIK-CQSZACIVSA-N 2 2 366.393 0.757 20 5 FCBDLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000486431879 490625343 /nfs/dbraw/zinc/62/53/43/490625343.db2.gz DBRIKBDRACKAFV-CYBMUJFWSA-N 2 2 361.402 0.430 20 5 FCBDLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000486431879 490625346 /nfs/dbraw/zinc/62/53/46/490625346.db2.gz DBRIKBDRACKAFV-CYBMUJFWSA-N 2 2 361.402 0.430 20 5 FCBDLP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000566114972 491418105 /nfs/dbraw/zinc/41/81/05/491418105.db2.gz ACOVHXVDLRAZSS-GJZGRUSLSA-N 2 2 353.419 0.892 20 5 FCBDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640859 491488916 /nfs/dbraw/zinc/48/89/16/491488916.db2.gz SSQYJUMVKYCPPN-CJNGLKHVSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640859 491488917 /nfs/dbraw/zinc/48/89/17/491488917.db2.gz SSQYJUMVKYCPPN-CJNGLKHVSA-N 2 2 353.423 0.337 20 5 FCBDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000595512612 491938920 /nfs/dbraw/zinc/93/89/20/491938920.db2.gz UUGWTMUZBSWXNB-HNNXBMFYSA-N 2 2 355.439 0.225 20 5 FCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000602784729 491998387 /nfs/dbraw/zinc/99/83/87/491998387.db2.gz JMEWRTGKKNEDLV-CQSZACIVSA-N 2 2 350.423 0.338 20 5 FCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000602784729 491998388 /nfs/dbraw/zinc/99/83/88/491998388.db2.gz JMEWRTGKKNEDLV-CQSZACIVSA-N 2 2 350.423 0.338 20 5 FCBDLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000419676740 536161200 /nfs/dbraw/zinc/16/12/00/536161200.db2.gz BRZRFMHMUOWVDW-UHFFFAOYSA-N 2 2 367.431 0.958 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986569 668968719 /nfs/dbraw/zinc/96/87/19/668968719.db2.gz PXDSTKMJNNUOQZ-ZNMIVQPWSA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986569 668968721 /nfs/dbraw/zinc/96/87/21/668968721.db2.gz PXDSTKMJNNUOQZ-ZNMIVQPWSA-N 2 2 351.403 0.787 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019777 1199043561 /nfs/dbraw/zinc/04/35/61/1199043561.db2.gz JIQIVPDCQKBJCU-NVXWUHKLSA-N 2 2 362.478 0.892 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019777 1199043567 /nfs/dbraw/zinc/04/35/67/1199043567.db2.gz JIQIVPDCQKBJCU-NVXWUHKLSA-N 2 2 362.478 0.892 20 5 FCBDLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870892597 1210121706 /nfs/dbraw/zinc/12/17/06/1210121706.db2.gz VXZBXOSGGQRGMH-GOSISDBHSA-N 2 2 363.462 0.865 20 5 FCBDLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870892597 1210121710 /nfs/dbraw/zinc/12/17/10/1210121710.db2.gz VXZBXOSGGQRGMH-GOSISDBHSA-N 2 2 363.462 0.865 20 5 FCBDLP CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167877661 850560263 /nfs/dbraw/zinc/56/02/63/850560263.db2.gz IXPDZMALEXSZCL-UHFFFAOYSA-N 2 2 365.803 0.117 20 5 FCBDLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691905 850733255 /nfs/dbraw/zinc/73/32/55/850733255.db2.gz UJDFSFNMLJELOW-CHWSQXEVSA-N 2 2 370.431 0.064 20 5 FCBDLP COc1cc(N2CCC([NH2+][C@H]3C[NH2+]C[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001246299882 857572409 /nfs/dbraw/zinc/57/24/09/857572409.db2.gz NWSGHEIDGIBGBS-WFASDCNBSA-N 2 2 350.419 0.742 20 5 FCBDLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000186819747 533686987 /nfs/dbraw/zinc/68/69/87/533686987.db2.gz FVUFRQFTXYGRHV-CYBMUJFWSA-N 2 2 359.386 0.919 20 5 FCBDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159809320 488787867 /nfs/dbraw/zinc/78/78/67/488787867.db2.gz CWKXAJBMDNPHTD-UHFFFAOYSA-N 2 2 365.434 0.243 20 5 FCBDLP C[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449956646 490437660 /nfs/dbraw/zinc/43/76/60/490437660.db2.gz AQLGZKMQKIKNBP-UHFFFAOYSA-N 2 2 359.386 0.967 20 5 FCBDLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422981711 490510523 /nfs/dbraw/zinc/51/05/23/490510523.db2.gz PAQDXXUYVKPKCO-STQMWFEESA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640857 491488770 /nfs/dbraw/zinc/48/87/70/491488770.db2.gz SSQYJUMVKYCPPN-BBRMVZONSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640857 491488772 /nfs/dbraw/zinc/48/87/72/491488772.db2.gz SSQYJUMVKYCPPN-BBRMVZONSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579943144 491710546 /nfs/dbraw/zinc/71/05/46/491710546.db2.gz CZJGBNYJSBEQST-AWEZNQCLSA-N 2 2 370.475 0.594 20 5 FCBDLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000580583904 491737265 /nfs/dbraw/zinc/73/72/65/491737265.db2.gz ZXUXIDPKFAVYQQ-UHFFFAOYSA-N 2 2 353.404 0.705 20 5 FCBDLP O=C1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1CC[NH+]1CCOCC1 ZINC000602594262 491993572 /nfs/dbraw/zinc/99/35/72/491993572.db2.gz PXAJESSFZKWMRI-INIZCTEOSA-N 2 2 362.430 0.660 20 5 FCBDLP COc1ccc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472310 546950566 /nfs/dbraw/zinc/95/05/66/546950566.db2.gz WZVSDTGWQXREPW-UHFFFAOYSA-N 2 2 351.407 0.379 20 5 FCBDLP COc1ccc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472310 546950568 /nfs/dbraw/zinc/95/05/68/546950568.db2.gz WZVSDTGWQXREPW-UHFFFAOYSA-N 2 2 351.407 0.379 20 5 FCBDLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000571111791 1211922760 /nfs/dbraw/zinc/92/27/60/1211922760.db2.gz RYPAIYWXKLAYLB-SFHVURJKSA-N 2 2 371.397 0.967 20 5 FCBDLP C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC[NH2+]CC1 ZINC000843345622 1222871207 /nfs/dbraw/zinc/87/12/07/1222871207.db2.gz BFBPAJHHXZIHTC-UHFFFAOYSA-N 2 2 361.446 0.927 20 5 FCBDLP C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC[NH2+]CC1 ZINC000843345622 1222871210 /nfs/dbraw/zinc/87/12/10/1222871210.db2.gz BFBPAJHHXZIHTC-UHFFFAOYSA-N 2 2 361.446 0.927 20 5 FCBDLP CCOC(=O)COc1ncc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001168737044 1259391060 /nfs/dbraw/zinc/39/10/60/1259391060.db2.gz NRCWSWGFQUEUTE-UHFFFAOYSA-N 2 2 366.378 0.526 20 5 FCBDLP C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)C2)CC1 ZINC001332562863 1266430421 /nfs/dbraw/zinc/43/04/21/1266430421.db2.gz GGKOVGKLSNVAAF-UHFFFAOYSA-N 2 2 370.413 0.852 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000360876190 215371925 /nfs/dbraw/zinc/37/19/25/215371925.db2.gz YUNAZFFUEHSTEI-ZDUSSCGKSA-N 2 2 365.438 0.259 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000360876190 215371927 /nfs/dbraw/zinc/37/19/27/215371927.db2.gz YUNAZFFUEHSTEI-ZDUSSCGKSA-N 2 2 365.438 0.259 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000369273940 216373814 /nfs/dbraw/zinc/37/38/14/216373814.db2.gz LDKNVXQLOZILFX-CYBMUJFWSA-N 2 2 363.418 0.041 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000369273940 216373817 /nfs/dbraw/zinc/37/38/17/216373817.db2.gz LDKNVXQLOZILFX-CYBMUJFWSA-N 2 2 363.418 0.041 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415049397 245343526 /nfs/dbraw/zinc/34/35/26/245343526.db2.gz YBAXPYGKRVONMX-CYBMUJFWSA-N 2 2 353.375 0.615 20 5 FCBDLP COC(=O)COc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415102375 245349201 /nfs/dbraw/zinc/34/92/01/245349201.db2.gz DQBGNYDQTVNPRZ-ZDUSSCGKSA-N 2 2 353.375 0.696 20 5 FCBDLP COC(=O)COc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415102375 245349206 /nfs/dbraw/zinc/34/92/06/245349206.db2.gz DQBGNYDQTVNPRZ-ZDUSSCGKSA-N 2 2 353.375 0.696 20 5 FCBDLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000482004979 250375106 /nfs/dbraw/zinc/37/51/06/250375106.db2.gz XQUYKTYMNXMYEH-UHFFFAOYSA-N 2 2 352.439 0.669 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000068467689 488365855 /nfs/dbraw/zinc/36/58/55/488365855.db2.gz QMIWNCQATIJRJK-UHFFFAOYSA-N 2 2 352.439 0.584 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068467689 488365856 /nfs/dbraw/zinc/36/58/56/488365856.db2.gz QMIWNCQATIJRJK-UHFFFAOYSA-N 2 2 352.439 0.584 20 5 FCBDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000365880459 489122444 /nfs/dbraw/zinc/12/24/44/489122444.db2.gz QWLMYEMRQLVDIP-AWEZNQCLSA-N 2 2 364.450 0.981 20 5 FCBDLP COc1ccc(OCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000564227148 491295404 /nfs/dbraw/zinc/29/54/04/491295404.db2.gz KOFCUDYUKUCGKP-AAEUAGOBSA-N 2 2 350.375 0.226 20 5 FCBDLP COc1ccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000564227148 491295407 /nfs/dbraw/zinc/29/54/07/491295407.db2.gz KOFCUDYUKUCGKP-AAEUAGOBSA-N 2 2 350.375 0.226 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883826 490618829 /nfs/dbraw/zinc/61/88/29/490618829.db2.gz YGOZQZVQTXNENT-MLGOLLRUSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883826 490618836 /nfs/dbraw/zinc/61/88/36/490618836.db2.gz YGOZQZVQTXNENT-MLGOLLRUSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859699 490619046 /nfs/dbraw/zinc/61/90/46/490619046.db2.gz WEPFHYSONPAHDY-OCCSQVGLSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859699 490619051 /nfs/dbraw/zinc/61/90/51/490619051.db2.gz WEPFHYSONPAHDY-OCCSQVGLSA-N 2 2 368.459 0.945 20 5 FCBDLP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414507 491575844 /nfs/dbraw/zinc/57/58/44/491575844.db2.gz MWOAWMJLKFHHOF-OLZOCXBDSA-N 2 2 370.369 0.165 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)CC1 ZINC000736852261 598772824 /nfs/dbraw/zinc/77/28/24/598772824.db2.gz PETUSKJNMZXYPL-NSHDSACASA-N 2 2 373.421 0.750 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)CC1 ZINC000736852261 598772826 /nfs/dbraw/zinc/77/28/26/598772826.db2.gz PETUSKJNMZXYPL-NSHDSACASA-N 2 2 373.421 0.750 20 5 FCBDLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917198515 1245551686 /nfs/dbraw/zinc/55/16/86/1245551686.db2.gz CNLCPZYMCFPMHW-HUUCEWRRSA-N 2 2 359.430 0.395 20 5 FCBDLP COc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc(OC)c1[N+](=O)[O-] ZINC001156181432 849892959 /nfs/dbraw/zinc/89/29/59/849892959.db2.gz AFLZSBHTCPJUSG-UHFFFAOYSA-N 2 2 354.411 0.840 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370843754 489410727 /nfs/dbraw/zinc/41/07/27/489410727.db2.gz SIBUEBOPWXNHNI-OAHLLOKOSA-N 2 2 364.450 0.727 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370843754 489410729 /nfs/dbraw/zinc/41/07/29/489410729.db2.gz SIBUEBOPWXNHNI-OAHLLOKOSA-N 2 2 364.450 0.727 20 5 FCBDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448951861 490389676 /nfs/dbraw/zinc/38/96/76/490389676.db2.gz CZEFFXHLBJSBIO-AWEZNQCLSA-N 2 2 358.402 0.756 20 5 FCBDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448951861 490389685 /nfs/dbraw/zinc/38/96/85/490389685.db2.gz CZEFFXHLBJSBIO-AWEZNQCLSA-N 2 2 358.402 0.756 20 5 FCBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000422931680 490500800 /nfs/dbraw/zinc/50/08/00/490500800.db2.gz CLGDPTUHPDOKQA-DOMZBBRYSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933865 490502259 /nfs/dbraw/zinc/50/22/59/490502259.db2.gz IOMYYKIJTKZPQW-QWHCGFSZSA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883825 490619003 /nfs/dbraw/zinc/61/90/03/490619003.db2.gz YGOZQZVQTXNENT-LRDDRELGSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883825 490619010 /nfs/dbraw/zinc/61/90/10/490619010.db2.gz YGOZQZVQTXNENT-LRDDRELGSA-N 2 2 368.459 0.945 20 5 FCBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175992 492139601 /nfs/dbraw/zinc/13/96/01/492139601.db2.gz MVHIMFISWVQNJV-OAHLLOKOSA-N 2 2 350.419 0.906 20 5 FCBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175992 492139602 /nfs/dbraw/zinc/13/96/02/492139602.db2.gz MVHIMFISWVQNJV-OAHLLOKOSA-N 2 2 350.419 0.906 20 5 FCBDLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608837044 492193653 /nfs/dbraw/zinc/19/36/53/492193653.db2.gz LPVZLRHBTRWZIQ-UHFFFAOYSA-N 2 2 372.429 0.859 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475173 546951910 /nfs/dbraw/zinc/95/19/10/546951910.db2.gz ZPQUECPRFNKCSI-ABAIWWIYSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475173 546951916 /nfs/dbraw/zinc/95/19/16/546951916.db2.gz ZPQUECPRFNKCSI-ABAIWWIYSA-N 2 2 352.391 0.980 20 5 FCBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000593901937 546994490 /nfs/dbraw/zinc/99/44/90/546994490.db2.gz JWANNQUEXLJGHF-NSHDSACASA-N 2 2 369.447 0.220 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594822253 547013911 /nfs/dbraw/zinc/01/39/11/547013911.db2.gz TZJZBHVBMXECGR-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594822253 547013914 /nfs/dbraw/zinc/01/39/14/547013914.db2.gz TZJZBHVBMXECGR-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000594822227 547014591 /nfs/dbraw/zinc/01/45/91/547014591.db2.gz SUEVIYJQOUHWAK-UHFFFAOYSA-N 2 2 358.464 0.898 20 5 FCBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000594822227 547014594 /nfs/dbraw/zinc/01/45/94/547014594.db2.gz SUEVIYJQOUHWAK-UHFFFAOYSA-N 2 2 358.464 0.898 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001120589982 848248915 /nfs/dbraw/zinc/24/89/15/848248915.db2.gz IYDADWOLKRFNPQ-OFQRWUPVSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001120589982 848248925 /nfs/dbraw/zinc/24/89/25/848248925.db2.gz IYDADWOLKRFNPQ-OFQRWUPVSA-N 2 2 352.435 0.558 20 5 FCBDLP CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369258476 216372506 /nfs/dbraw/zinc/37/25/06/216372506.db2.gz WDQCJRIDPVLELM-LLVKDONJSA-N 2 2 350.423 0.779 20 5 FCBDLP CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369258476 216372510 /nfs/dbraw/zinc/37/25/10/216372510.db2.gz WDQCJRIDPVLELM-LLVKDONJSA-N 2 2 350.423 0.779 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000050797868 488114048 /nfs/dbraw/zinc/11/40/48/488114048.db2.gz MFCCHNAXKNHDDA-UHFFFAOYSA-N 2 2 350.423 0.466 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248464903 488497647 /nfs/dbraw/zinc/49/76/47/488497647.db2.gz RIDGFXQFRPWHSV-JKSUJKDBSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248464903 488497648 /nfs/dbraw/zinc/49/76/48/488497648.db2.gz RIDGFXQFRPWHSV-JKSUJKDBSA-N 2 2 365.430 0.989 20 5 FCBDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266969600 488749106 /nfs/dbraw/zinc/74/91/06/488749106.db2.gz ZNHHLQZPBVTJKF-HNNXBMFYSA-N 2 2 361.402 0.890 20 5 FCBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289216441 489050008 /nfs/dbraw/zinc/05/00/08/489050008.db2.gz KWJJREGWXRKJOB-HNNXBMFYSA-N 2 2 370.413 0.900 20 5 FCBDLP CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838437 489409128 /nfs/dbraw/zinc/40/91/28/489409128.db2.gz GEUIQHXJKAYONZ-HNNXBMFYSA-N 2 2 364.450 0.808 20 5 FCBDLP CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838437 489409130 /nfs/dbraw/zinc/40/91/30/489409130.db2.gz GEUIQHXJKAYONZ-HNNXBMFYSA-N 2 2 364.450 0.808 20 5 FCBDLP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490632850 489778441 /nfs/dbraw/zinc/77/84/41/489778441.db2.gz YZXDUVTXBHBTMY-DOTOQJQBSA-N 2 2 363.462 0.714 20 5 FCBDLP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490632850 489778445 /nfs/dbraw/zinc/77/84/45/489778445.db2.gz YZXDUVTXBHBTMY-DOTOQJQBSA-N 2 2 363.462 0.714 20 5 FCBDLP C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCC[NH3+])c([N+](=O)[O-])c2)CC1 ZINC000420227035 489956622 /nfs/dbraw/zinc/95/66/22/489956622.db2.gz BIICMODKNBGSTI-UHFFFAOYSA-N 2 2 371.463 0.682 20 5 FCBDLP COc1ccc(OCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000564227171 491295329 /nfs/dbraw/zinc/29/53/29/491295329.db2.gz KOFCUDYUKUCGKP-YPMHNXCESA-N 2 2 350.375 0.226 20 5 FCBDLP COc1ccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000564227171 491295332 /nfs/dbraw/zinc/29/53/32/491295332.db2.gz KOFCUDYUKUCGKP-YPMHNXCESA-N 2 2 350.375 0.226 20 5 FCBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000422024922 490128185 /nfs/dbraw/zinc/12/81/85/490128185.db2.gz ROSUIMMBGDCFNA-UHFFFAOYSA-N 2 2 350.423 0.950 20 5 FCBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000422024922 490128189 /nfs/dbraw/zinc/12/81/89/490128189.db2.gz ROSUIMMBGDCFNA-UHFFFAOYSA-N 2 2 350.423 0.950 20 5 FCBDLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422934214 490502364 /nfs/dbraw/zinc/50/23/64/490502364.db2.gz JGKZAZPKMCNIAI-CABCVRRESA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)NCC[NH+](C)C ZINC000565433331 491376324 /nfs/dbraw/zinc/37/63/24/491376324.db2.gz QOUCGLRZQMTGJQ-LBPRGKRZSA-N 2 2 374.401 0.577 20 5 FCBDLP C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)NCC[NH+](C)C ZINC000565433316 491376448 /nfs/dbraw/zinc/37/64/48/491376448.db2.gz QOUCGLRZQMTGJQ-GFCCVEGCSA-N 2 2 374.401 0.577 20 5 FCBDLP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000566114974 491418285 /nfs/dbraw/zinc/41/82/85/491418285.db2.gz ACOVHXVDLRAZSS-HUUCEWRRSA-N 2 2 353.419 0.892 20 5 FCBDLP C[N@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000575309668 491548095 /nfs/dbraw/zinc/54/80/95/491548095.db2.gz SHQLDGBHVPCVCK-JTQLQIEISA-N 2 2 369.809 0.079 20 5 FCBDLP C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000583626196 491848743 /nfs/dbraw/zinc/84/87/43/491848743.db2.gz IMFJEHFOZTVCQK-GOEBONIOSA-N 2 2 353.419 0.892 20 5 FCBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598990401 492128696 /nfs/dbraw/zinc/12/86/96/492128696.db2.gz NEOHWVGPGVVRPD-ZDUSSCGKSA-N 2 2 364.402 0.795 20 5 FCBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000598990401 492128698 /nfs/dbraw/zinc/12/86/98/492128698.db2.gz NEOHWVGPGVVRPD-ZDUSSCGKSA-N 2 2 364.402 0.795 20 5 FCBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594822254 547013846 /nfs/dbraw/zinc/01/38/46/547013846.db2.gz UABHGZBIOBEZIK-UHFFFAOYSA-N 2 2 358.464 0.898 20 5 FCBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594822254 547013852 /nfs/dbraw/zinc/01/38/52/547013852.db2.gz UABHGZBIOBEZIK-UHFFFAOYSA-N 2 2 358.464 0.898 20 5 FCBDLP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819078178 1203149884 /nfs/dbraw/zinc/14/98/84/1203149884.db2.gz SWTUAKOORPMOCP-SJLPKXTDSA-N 2 2 364.446 0.624 20 5 FCBDLP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155381331 1223034542 /nfs/dbraw/zinc/03/45/42/1223034542.db2.gz FKHDQHMMNSXTGA-ZDUSSCGKSA-N 2 2 363.422 0.511 20 5 FCBDLP CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203178 850023410 /nfs/dbraw/zinc/02/34/10/850023410.db2.gz FJCCOSHQHOKUEM-MRVPVSSYSA-N 2 2 369.765 0.868 20 5 FCBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359206 216390154 /nfs/dbraw/zinc/39/01/54/216390154.db2.gz PYTUGQMJODKSDZ-MRXNPFEDSA-N 2 2 361.446 0.906 20 5 FCBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359206 216390157 /nfs/dbraw/zinc/39/01/57/216390157.db2.gz PYTUGQMJODKSDZ-MRXNPFEDSA-N 2 2 361.446 0.906 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362706901 489393119 /nfs/dbraw/zinc/39/31/19/489393119.db2.gz RKDCVWXDRBOLHC-CQSZACIVSA-N 2 2 364.450 0.775 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362706901 489393121 /nfs/dbraw/zinc/39/31/21/489393121.db2.gz RKDCVWXDRBOLHC-CQSZACIVSA-N 2 2 364.450 0.775 20 5 FCBDLP CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829335 489408658 /nfs/dbraw/zinc/40/86/58/489408658.db2.gz FWBJMSJYTADEOB-AWEZNQCLSA-N 2 2 350.423 0.418 20 5 FCBDLP CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829335 489408660 /nfs/dbraw/zinc/40/86/60/489408660.db2.gz FWBJMSJYTADEOB-AWEZNQCLSA-N 2 2 350.423 0.418 20 5 FCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430603006 489750435 /nfs/dbraw/zinc/75/04/35/489750435.db2.gz IQACGYQUYUAPQI-ZDUSSCGKSA-N 2 2 363.418 0.629 20 5 FCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430603006 489750438 /nfs/dbraw/zinc/75/04/38/489750438.db2.gz IQACGYQUYUAPQI-ZDUSSCGKSA-N 2 2 363.418 0.629 20 5 FCBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933863 490501499 /nfs/dbraw/zinc/50/14/99/490501499.db2.gz IOMYYKIJTKZPQW-CHWSQXEVSA-N 2 2 372.447 0.230 20 5 FCBDLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422981710 490510289 /nfs/dbraw/zinc/51/02/89/490510289.db2.gz PAQDXXUYVKPKCO-OLZOCXBDSA-N 2 2 356.448 0.993 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592474824 546950546 /nfs/dbraw/zinc/95/05/46/546950546.db2.gz DIDXOUFLOMAWNK-ABAIWWIYSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592474824 546950550 /nfs/dbraw/zinc/95/05/50/546950550.db2.gz DIDXOUFLOMAWNK-ABAIWWIYSA-N 2 2 352.391 0.980 20 5 FCBDLP COC(=O)COc1c(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169075624 1199045254 /nfs/dbraw/zinc/04/52/54/1199045254.db2.gz KERFXLPOARYBIV-LLVKDONJSA-N 2 2 364.358 0.503 20 5 FCBDLP CC(C)(CO)[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576081994 1272854030 /nfs/dbraw/zinc/85/40/30/1272854030.db2.gz QYGVFWUPVPHANQ-KRWDZBQOSA-N 2 2 350.419 0.684 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001120589980 848249239 /nfs/dbraw/zinc/24/92/39/848249239.db2.gz IYDADWOLKRFNPQ-DZKIICNBSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001120589980 848249244 /nfs/dbraw/zinc/24/92/44/848249244.db2.gz IYDADWOLKRFNPQ-DZKIICNBSA-N 2 2 352.435 0.558 20 5 FCBDLP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)C2 ZINC001246874145 857604381 /nfs/dbraw/zinc/60/43/81/857604381.db2.gz VXWRYVYCWIMJEN-MLGOLLRUSA-N 2 2 366.443 0.781 20 5 FCBDLP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)C2 ZINC001246874145 857604384 /nfs/dbraw/zinc/60/43/84/857604384.db2.gz VXWRYVYCWIMJEN-MLGOLLRUSA-N 2 2 366.443 0.781 20 5 FCBDLP O=C1[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000489935564 489736978 /nfs/dbraw/zinc/73/69/78/489736978.db2.gz OMAGCBVYEJOMOZ-IRXDYDNUSA-N 2 2 359.430 0.680 20 5 FCBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422003398 490126074 /nfs/dbraw/zinc/12/60/74/490126074.db2.gz CVHINBDKPQBURP-UHFFFAOYSA-N 2 2 364.450 0.810 20 5 FCBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000422003398 490126081 /nfs/dbraw/zinc/12/60/81/490126081.db2.gz CVHINBDKPQBURP-UHFFFAOYSA-N 2 2 364.450 0.810 20 5 FCBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034871 490525825 /nfs/dbraw/zinc/52/58/25/490525825.db2.gz IRABTKKMBUPLEJ-STQMWFEESA-N 2 2 357.432 0.725 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041933 490763110 /nfs/dbraw/zinc/76/31/10/490763110.db2.gz UZKUJTTWIHORSR-WBMJQRKESA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041933 490763111 /nfs/dbraw/zinc/76/31/11/490763111.db2.gz UZKUJTTWIHORSR-WBMJQRKESA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000583626198 491848898 /nfs/dbraw/zinc/84/88/98/491848898.db2.gz IMFJEHFOZTVCQK-ZBFHGGJFSA-N 2 2 353.419 0.892 20 5 FCBDLP COc1cc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000593901234 546994480 /nfs/dbraw/zinc/99/44/80/546994480.db2.gz COXGLQZWCNYAMA-LBPRGKRZSA-N 2 2 354.407 0.550 20 5 FCBDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000931484292 1211757607 /nfs/dbraw/zinc/75/76/07/1211757607.db2.gz MGGBXGWROCSBJM-UHFFFAOYSA-N 2 2 362.430 0.872 20 5 FCBDLP COc1cc(N2CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)cc[nH+]1 ZINC001158104582 1223088894 /nfs/dbraw/zinc/08/88/94/1223088894.db2.gz OFSRRMAPOQAYNE-UHFFFAOYSA-N 2 2 371.401 0.802 20 5 FCBDLP Cc1nn(C)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC001318212387 1263551687 /nfs/dbraw/zinc/55/16/87/1263551687.db2.gz GVMNRQYHLSLUJJ-UHFFFAOYSA-N 2 2 364.450 0.925 20 5 FCBDLP C[NH+]1CC(C[NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173694508 850733065 /nfs/dbraw/zinc/73/30/65/850733065.db2.gz SAFLYBXCDKYNOW-UHFFFAOYSA-N 2 2 368.459 0.899 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000369273941 216373590 /nfs/dbraw/zinc/37/35/90/216373590.db2.gz LDKNVXQLOZILFX-ZDUSSCGKSA-N 2 2 363.418 0.041 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000369273941 216373592 /nfs/dbraw/zinc/37/35/92/216373592.db2.gz LDKNVXQLOZILFX-ZDUSSCGKSA-N 2 2 363.418 0.041 20 5 FCBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422936251 246936241 /nfs/dbraw/zinc/93/62/41/246936241.db2.gz BFHTYLHZFQSDTL-OLZOCXBDSA-N 2 2 372.447 0.230 20 5 FCBDLP O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CC[NH+]1CCOCC1 ZINC000178906370 209065584 /nfs/dbraw/zinc/06/55/84/209065584.db2.gz QLBNRCRVITWZKO-CYBMUJFWSA-N 2 2 354.432 0.679 20 5 FCBDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273183641 488636776 /nfs/dbraw/zinc/63/67/76/488636776.db2.gz QIUPQZYYNMGKDA-CQSZACIVSA-N 2 2 361.402 0.890 20 5 FCBDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273183639 488636847 /nfs/dbraw/zinc/63/68/47/488636847.db2.gz QIUPQZYYNMGKDA-AWEZNQCLSA-N 2 2 361.402 0.890 20 5 FCBDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264802052 488713829 /nfs/dbraw/zinc/71/38/29/488713829.db2.gz YXXLPOKRYUQWJG-CQSZACIVSA-N 2 2 358.402 0.756 20 5 FCBDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264802052 488713830 /nfs/dbraw/zinc/71/38/30/488713830.db2.gz YXXLPOKRYUQWJG-CQSZACIVSA-N 2 2 358.402 0.756 20 5 FCBDLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174780286 488851220 /nfs/dbraw/zinc/85/12/20/488851220.db2.gz UAZYCJBYWAJBRX-AWEZNQCLSA-N 2 2 362.390 0.378 20 5 FCBDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000365880461 489122392 /nfs/dbraw/zinc/12/23/92/489122392.db2.gz QWLMYEMRQLVDIP-CQSZACIVSA-N 2 2 364.450 0.981 20 5 FCBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430611247 489753737 /nfs/dbraw/zinc/75/37/37/489753737.db2.gz NWCRBMHRAGZIIA-HNNXBMFYSA-N 2 2 361.402 0.064 20 5 FCBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430611247 489753741 /nfs/dbraw/zinc/75/37/41/489753741.db2.gz NWCRBMHRAGZIIA-HNNXBMFYSA-N 2 2 361.402 0.064 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376895152 489813732 /nfs/dbraw/zinc/81/37/32/489813732.db2.gz VVYFPDDGEXTHQI-ZDUSSCGKSA-N 2 2 362.434 0.813 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376895152 489813735 /nfs/dbraw/zinc/81/37/35/489813735.db2.gz VVYFPDDGEXTHQI-ZDUSSCGKSA-N 2 2 362.434 0.813 20 5 FCBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000422949714 490505036 /nfs/dbraw/zinc/50/50/36/490505036.db2.gz WBWGLNXBSCWQNO-WFASDCNBSA-N 2 2 356.448 0.993 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718315 491723565 /nfs/dbraw/zinc/72/35/65/491723565.db2.gz CHIZRQPXZDFVGT-HOCLYGCPSA-N 2 2 353.423 0.339 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718315 491723566 /nfs/dbraw/zinc/72/35/66/491723566.db2.gz CHIZRQPXZDFVGT-HOCLYGCPSA-N 2 2 353.423 0.339 20 5 FCBDLP O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588870158 491750738 /nfs/dbraw/zinc/75/07/38/491750738.db2.gz VFWYSNFUAGOSIZ-AWEZNQCLSA-N 2 2 359.386 0.967 20 5 FCBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC([NH2+]CCO)CC1 ZINC000581283720 491767016 /nfs/dbraw/zinc/76/70/16/491767016.db2.gz YBJRRLUVYZQZPL-UHFFFAOYSA-N 2 2 364.446 0.978 20 5 FCBDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368078 491809483 /nfs/dbraw/zinc/80/94/83/491809483.db2.gz ULDRSFHWJXZKDQ-ZFWWWQNUSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368078 491809484 /nfs/dbraw/zinc/80/94/84/491809484.db2.gz ULDRSFHWJXZKDQ-ZFWWWQNUSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368078 491809485 /nfs/dbraw/zinc/80/94/85/491809485.db2.gz ULDRSFHWJXZKDQ-ZFWWWQNUSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368078 491809486 /nfs/dbraw/zinc/80/94/86/491809486.db2.gz ULDRSFHWJXZKDQ-ZFWWWQNUSA-N 2 2 353.423 0.415 20 5 FCBDLP C[N@H+](CCN1CC[NH2+]CC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592472261 546950429 /nfs/dbraw/zinc/95/04/29/546950429.db2.gz PFGHPRLFDKWXCH-UHFFFAOYSA-N 2 2 356.448 0.206 20 5 FCBDLP C[N@@H+](CCN1CC[NH2+]CC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592472261 546950433 /nfs/dbraw/zinc/95/04/33/546950433.db2.gz PFGHPRLFDKWXCH-UHFFFAOYSA-N 2 2 356.448 0.206 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986639 668968860 /nfs/dbraw/zinc/96/88/60/668968860.db2.gz QSNWOCTXLRBHRT-ZMSDIMECSA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986639 668968864 /nfs/dbraw/zinc/96/88/64/668968864.db2.gz QSNWOCTXLRBHRT-ZMSDIMECSA-N 2 2 351.403 0.787 20 5 FCBDLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870892599 1210121889 /nfs/dbraw/zinc/12/18/89/1210121889.db2.gz VXZBXOSGGQRGMH-SFHVURJKSA-N 2 2 363.462 0.865 20 5 FCBDLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870892599 1210121891 /nfs/dbraw/zinc/12/18/91/1210121891.db2.gz VXZBXOSGGQRGMH-SFHVURJKSA-N 2 2 363.462 0.865 20 5 FCBDLP COc1ccc(OCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000266553984 210354801 /nfs/dbraw/zinc/35/48/01/210354801.db2.gz VIOGALYCQYZTQQ-UHFFFAOYSA-N 2 2 366.418 0.688 20 5 FCBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933864 490502208 /nfs/dbraw/zinc/50/22/08/490502208.db2.gz IOMYYKIJTKZPQW-OLZOCXBDSA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000422974814 490508968 /nfs/dbraw/zinc/50/89/68/490508968.db2.gz ARNOFKPGQFWCAQ-CHWSQXEVSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041931 490762440 /nfs/dbraw/zinc/76/24/40/490762440.db2.gz UZKUJTTWIHORSR-MLGOLLRUSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041931 490762442 /nfs/dbraw/zinc/76/24/42/490762442.db2.gz UZKUJTTWIHORSR-MLGOLLRUSA-N 2 2 368.459 0.945 20 5 FCBDLP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594917976 491872042 /nfs/dbraw/zinc/87/20/42/491872042.db2.gz NWMZYZZPNZNXMF-UHFFFAOYSA-N 2 2 365.415 0.806 20 5 FCBDLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000595512613 491938874 /nfs/dbraw/zinc/93/88/74/491938874.db2.gz UUGWTMUZBSWXNB-OAHLLOKOSA-N 2 2 355.439 0.225 20 5 FCBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596151499 491977691 /nfs/dbraw/zinc/97/76/91/491977691.db2.gz QHTPKVWASROMSG-UHFFFAOYSA-N 2 2 371.463 0.680 20 5 FCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000602771600 491997601 /nfs/dbraw/zinc/99/76/01/491997601.db2.gz FVTUWPSDGQDAMN-UHFFFAOYSA-N 2 2 350.423 0.340 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475176 546951490 /nfs/dbraw/zinc/95/14/90/546951490.db2.gz ZPQUECPRFNKCSI-XHDPSFHLSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475176 546951492 /nfs/dbraw/zinc/95/14/92/546951492.db2.gz ZPQUECPRFNKCSI-XHDPSFHLSA-N 2 2 352.391 0.980 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)CC1 ZINC000736852259 598772521 /nfs/dbraw/zinc/77/25/21/598772521.db2.gz PETUSKJNMZXYPL-LLVKDONJSA-N 2 2 373.421 0.750 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)CC1 ZINC000736852259 598772523 /nfs/dbraw/zinc/77/25/23/598772523.db2.gz PETUSKJNMZXYPL-LLVKDONJSA-N 2 2 373.421 0.750 20 5 FCBDLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1[NH3+] ZINC000843353916 1222872144 /nfs/dbraw/zinc/87/21/44/1222872144.db2.gz RAQOVPCAIDQITH-PBHICJAKSA-N 2 2 361.446 0.913 20 5 FCBDLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1[NH3+] ZINC000843353916 1222872146 /nfs/dbraw/zinc/87/21/46/1222872146.db2.gz RAQOVPCAIDQITH-PBHICJAKSA-N 2 2 361.446 0.913 20 5 FCBDLP CCOC(=O)c1nc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157094770 849946488 /nfs/dbraw/zinc/94/64/88/849946488.db2.gz VUGBMFCUSGBAAW-UHFFFAOYSA-N 2 2 359.774 0.890 20 5 FCBDLP COC(=O)c1nc(Cl)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160510689 850178209 /nfs/dbraw/zinc/17/82/09/850178209.db2.gz IPOJASKHJNUMEU-AWEZNQCLSA-N 2 2 370.797 0.660 20 5 FCBDLP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)C2 ZINC001246874143 857604330 /nfs/dbraw/zinc/60/43/30/857604330.db2.gz VXWRYVYCWIMJEN-LRDDRELGSA-N 2 2 366.443 0.781 20 5 FCBDLP [NH3+][C@]12C[C@H]1C[N@H+](C1CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC1)C2 ZINC001246874143 857604335 /nfs/dbraw/zinc/60/43/35/857604335.db2.gz VXWRYVYCWIMJEN-LRDDRELGSA-N 2 2 366.443 0.781 20 5 FCBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359205 216389828 /nfs/dbraw/zinc/38/98/28/216389828.db2.gz PYTUGQMJODKSDZ-INIZCTEOSA-N 2 2 361.446 0.906 20 5 FCBDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000369359205 216389830 /nfs/dbraw/zinc/38/98/30/216389830.db2.gz PYTUGQMJODKSDZ-INIZCTEOSA-N 2 2 361.446 0.906 20 5 FCBDLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000079496985 208091892 /nfs/dbraw/zinc/09/18/92/208091892.db2.gz QLMMJYXVCIHYDR-WCQYABFASA-N 2 2 354.436 0.261 20 5 FCBDLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000189710063 229256996 /nfs/dbraw/zinc/25/69/96/229256996.db2.gz FVUFRQFTXYGRHV-ZDUSSCGKSA-N 2 2 359.386 0.919 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247226714 229279183 /nfs/dbraw/zinc/27/91/83/229279183.db2.gz CZHKXQAXODUYRH-GOEBONIOSA-N 2 2 353.423 0.196 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173732021 488844943 /nfs/dbraw/zinc/84/49/43/488844943.db2.gz CZHKXQAXODUYRH-ZBFHGGJFSA-N 2 2 353.423 0.196 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173732021 488844944 /nfs/dbraw/zinc/84/49/44/488844944.db2.gz CZHKXQAXODUYRH-ZBFHGGJFSA-N 2 2 353.423 0.196 20 5 FCBDLP CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840520 489410163 /nfs/dbraw/zinc/41/01/63/489410163.db2.gz WCJGDCKYBGQAMM-AWEZNQCLSA-N 2 2 350.423 0.418 20 5 FCBDLP CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840520 489410164 /nfs/dbraw/zinc/41/01/64/489410164.db2.gz WCJGDCKYBGQAMM-AWEZNQCLSA-N 2 2 350.423 0.418 20 5 FCBDLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414506 491575475 /nfs/dbraw/zinc/57/54/75/491575475.db2.gz MWOAWMJLKFHHOF-CHWSQXEVSA-N 2 2 370.369 0.165 20 5 FCBDLP C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000583626195 491848751 /nfs/dbraw/zinc/84/87/51/491848751.db2.gz IMFJEHFOZTVCQK-GDBMZVCRSA-N 2 2 353.419 0.892 20 5 FCBDLP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000602989552 492010861 /nfs/dbraw/zinc/01/08/61/492010861.db2.gz SYOMNHNEAGYPOO-UHFFFAOYSA-N 2 2 363.418 0.629 20 5 FCBDLP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000602989552 492010863 /nfs/dbraw/zinc/01/08/63/492010863.db2.gz SYOMNHNEAGYPOO-UHFFFAOYSA-N 2 2 363.418 0.629 20 5 FCBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C[N+](=O)[O-])n3C)CC2)CC1 ZINC001519605585 1265736771 /nfs/dbraw/zinc/73/67/71/1265736771.db2.gz HUAKZWSROKCVKV-UHFFFAOYSA-N 2 2 351.455 0.588 20 5 FCBDLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C[N+](=O)[O-])n3C)CC2)CC1 ZINC001519605585 1265736778 /nfs/dbraw/zinc/73/67/78/1265736778.db2.gz HUAKZWSROKCVKV-UHFFFAOYSA-N 2 2 351.455 0.588 20 5 FCBDLP [NH3+]C1CC[NH+]([C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001345945452 871572058 /nfs/dbraw/zinc/57/20/58/871572058.db2.gz VDGFSHCJBIYCGU-INIZCTEOSA-N 2 2 368.459 0.922 20 5 FCBDLP CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369258477 216372800 /nfs/dbraw/zinc/37/28/00/216372800.db2.gz WDQCJRIDPVLELM-NSHDSACASA-N 2 2 350.423 0.779 20 5 FCBDLP CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369258477 216372803 /nfs/dbraw/zinc/37/28/03/216372803.db2.gz WDQCJRIDPVLELM-NSHDSACASA-N 2 2 350.423 0.779 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414975622 245338675 /nfs/dbraw/zinc/33/86/75/245338675.db2.gz MIBVEDJVNZSJPE-ZDUSSCGKSA-N 2 2 352.391 0.140 20 5 FCBDLP COc1cc[nH+]c(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000090526416 208131384 /nfs/dbraw/zinc/13/13/84/208131384.db2.gz OZFIYKQMPOEABO-UHFFFAOYSA-N 2 2 359.386 0.982 20 5 FCBDLP CN(CCn1cc([N+](=O)[O-])ccc1=O)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000089269379 208121048 /nfs/dbraw/zinc/12/10/48/208121048.db2.gz FUZAZNFQTOHEFR-UHFFFAOYSA-N 2 2 351.451 0.714 20 5 FCBDLP CN(CCn1cc([N+](=O)[O-])ccc1=O)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000089269379 208121055 /nfs/dbraw/zinc/12/10/55/208121055.db2.gz FUZAZNFQTOHEFR-UHFFFAOYSA-N 2 2 351.451 0.714 20 5 FCBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000118834530 208352255 /nfs/dbraw/zinc/35/22/55/208352255.db2.gz JOALKXULRGWKOL-MRXNPFEDSA-N 2 2 361.446 0.906 20 5 FCBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000118834530 208352257 /nfs/dbraw/zinc/35/22/57/208352257.db2.gz JOALKXULRGWKOL-MRXNPFEDSA-N 2 2 361.446 0.906 20 5 FCBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273059812 488628744 /nfs/dbraw/zinc/62/87/44/488628744.db2.gz SNVCXONKBHILHM-CQSZACIVSA-N 2 2 366.418 0.040 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371973263 489531110 /nfs/dbraw/zinc/53/11/10/489531110.db2.gz JBBVJTAHVSNCMR-CYBMUJFWSA-N 2 2 363.418 0.936 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371973263 489531112 /nfs/dbraw/zinc/53/11/12/489531112.db2.gz JBBVJTAHVSNCMR-CYBMUJFWSA-N 2 2 363.418 0.936 20 5 FCBDLP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490632855 489778562 /nfs/dbraw/zinc/77/85/62/489778562.db2.gz YZXDUVTXBHBTMY-NVXWUHKLSA-N 2 2 363.462 0.714 20 5 FCBDLP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490632855 489778565 /nfs/dbraw/zinc/77/85/65/489778565.db2.gz YZXDUVTXBHBTMY-NVXWUHKLSA-N 2 2 363.462 0.714 20 5 FCBDLP COc1ccc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000564227166 491295341 /nfs/dbraw/zinc/29/53/41/491295341.db2.gz KOFCUDYUKUCGKP-DGCLKSJQSA-N 2 2 350.375 0.226 20 5 FCBDLP COc1ccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000564227166 491295344 /nfs/dbraw/zinc/29/53/44/491295344.db2.gz KOFCUDYUKUCGKP-DGCLKSJQSA-N 2 2 350.375 0.226 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041929 490762876 /nfs/dbraw/zinc/76/28/76/490762876.db2.gz UZKUJTTWIHORSR-LRDDRELGSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041929 490762880 /nfs/dbraw/zinc/76/28/80/490762880.db2.gz UZKUJTTWIHORSR-LRDDRELGSA-N 2 2 368.459 0.945 20 5 FCBDLP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414508 491575714 /nfs/dbraw/zinc/57/57/14/491575714.db2.gz MWOAWMJLKFHHOF-QWHCGFSZSA-N 2 2 370.369 0.165 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000609571535 492214440 /nfs/dbraw/zinc/21/44/40/492214440.db2.gz CLHCIIUSGFOLOZ-CYBMUJFWSA-N 2 2 364.450 0.811 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000609571535 492214441 /nfs/dbraw/zinc/21/44/41/492214441.db2.gz CLHCIIUSGFOLOZ-CYBMUJFWSA-N 2 2 364.450 0.811 20 5 FCBDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244186 492282791 /nfs/dbraw/zinc/28/27/91/492282791.db2.gz HCLQOAXYIXOVMX-OAHLLOKOSA-N 2 2 363.418 0.171 20 5 FCBDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244186 492282792 /nfs/dbraw/zinc/28/27/92/492282792.db2.gz HCLQOAXYIXOVMX-OAHLLOKOSA-N 2 2 363.418 0.171 20 5 FCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819076763 1203149956 /nfs/dbraw/zinc/14/99/56/1203149956.db2.gz FYBDLUZKCZJUNN-SJLPKXTDSA-N 2 2 364.446 0.624 20 5 FCBDLP O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1 ZINC001052990211 1218870245 /nfs/dbraw/zinc/87/02/45/1218870245.db2.gz QCCIHFZWUKAQJJ-YYIAUSFCSA-N 2 2 366.462 0.174 20 5 FCBDLP O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1 ZINC001052990211 1218870248 /nfs/dbraw/zinc/87/02/48/1218870248.db2.gz QCCIHFZWUKAQJJ-YYIAUSFCSA-N 2 2 366.462 0.174 20 5 FCBDLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843377574 1222874478 /nfs/dbraw/zinc/87/44/78/1222874478.db2.gz CNLCPZYMCFPMHW-GASCZTMLSA-N 2 2 359.430 0.395 20 5 FCBDLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843377574 1222874479 /nfs/dbraw/zinc/87/44/79/1222874479.db2.gz CNLCPZYMCFPMHW-GASCZTMLSA-N 2 2 359.430 0.395 20 5 FCBDLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270723579 211255077 /nfs/dbraw/zinc/25/50/77/211255077.db2.gz ROXVZCBHGWVEHY-UHFFFAOYSA-N 2 2 359.390 0.655 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000473997037 250261786 /nfs/dbraw/zinc/26/17/86/250261786.db2.gz TZKQWXVSDFNHRD-INIZCTEOSA-N 2 2 353.375 0.303 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000473997037 250261790 /nfs/dbraw/zinc/26/17/90/250261790.db2.gz TZKQWXVSDFNHRD-INIZCTEOSA-N 2 2 353.375 0.303 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000252465862 488517968 /nfs/dbraw/zinc/51/79/68/488517968.db2.gz PPJKPZBMYVVZKJ-RDJZCZTQSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000252465862 488517970 /nfs/dbraw/zinc/51/79/70/488517970.db2.gz PPJKPZBMYVVZKJ-RDJZCZTQSA-N 2 2 365.430 0.989 20 5 FCBDLP C[NH+](C)C1CC[NH+](CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000267203652 488769300 /nfs/dbraw/zinc/76/93/00/488769300.db2.gz OYPZMEIYPBWKSF-UHFFFAOYSA-N 2 2 371.463 0.680 20 5 FCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162132666 488800958 /nfs/dbraw/zinc/80/09/58/488800958.db2.gz BYGVQNHFHQIULP-UHFFFAOYSA-N 2 2 367.454 0.459 20 5 FCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162132666 488800961 /nfs/dbraw/zinc/80/09/61/488800961.db2.gz BYGVQNHFHQIULP-UHFFFAOYSA-N 2 2 367.454 0.459 20 5 FCBDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000554809036 491226756 /nfs/dbraw/zinc/22/67/56/491226756.db2.gz MXIKUZADMGOENW-UHFFFAOYSA-N 2 2 362.434 0.276 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000331424004 489209293 /nfs/dbraw/zinc/20/92/93/489209293.db2.gz ILJMGLJCWZOHCY-UHFFFAOYSA-N 2 2 364.450 0.856 20 5 FCBDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448951880 490391103 /nfs/dbraw/zinc/39/11/03/490391103.db2.gz CZEFFXHLBJSBIO-CQSZACIVSA-N 2 2 358.402 0.756 20 5 FCBDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448951880 490391112 /nfs/dbraw/zinc/39/11/12/490391112.db2.gz CZEFFXHLBJSBIO-CQSZACIVSA-N 2 2 358.402 0.756 20 5 FCBDLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422949724 490504898 /nfs/dbraw/zinc/50/48/98/490504898.db2.gz WCRHRPZJAQMKEN-CABCVRRESA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041925 490762460 /nfs/dbraw/zinc/76/24/60/490762460.db2.gz UZKUJTTWIHORSR-BLLLJJGKSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000539041925 490762462 /nfs/dbraw/zinc/76/24/62/490762462.db2.gz UZKUJTTWIHORSR-BLLLJJGKSA-N 2 2 368.459 0.945 20 5 FCBDLP C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C[NH3+])C1 ZINC000515842025 490840582 /nfs/dbraw/zinc/84/05/82/490840582.db2.gz KSULBGIDHAYNHE-GFCCVEGCSA-N 2 2 350.375 0.010 20 5 FCBDLP C[N@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C[NH3+])C1 ZINC000515842025 490840584 /nfs/dbraw/zinc/84/05/84/490840584.db2.gz KSULBGIDHAYNHE-GFCCVEGCSA-N 2 2 350.375 0.010 20 5 FCBDLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000566114975 491418056 /nfs/dbraw/zinc/41/80/56/491418056.db2.gz ACOVHXVDLRAZSS-LSDHHAIUSA-N 2 2 353.419 0.892 20 5 FCBDLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000566497173 491448837 /nfs/dbraw/zinc/44/88/37/491448837.db2.gz UAXJRXQJUZPMDV-UHFFFAOYSA-N 2 2 353.404 0.705 20 5 FCBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602989614 492010707 /nfs/dbraw/zinc/01/07/07/492010707.db2.gz WJMIHWLVZQGHSG-AWEZNQCLSA-N 2 2 366.418 0.040 20 5 FCBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602989614 492010709 /nfs/dbraw/zinc/01/07/09/492010709.db2.gz WJMIHWLVZQGHSG-AWEZNQCLSA-N 2 2 366.418 0.040 20 5 FCBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602989615 492010734 /nfs/dbraw/zinc/01/07/34/492010734.db2.gz WJMIHWLVZQGHSG-CQSZACIVSA-N 2 2 366.418 0.040 20 5 FCBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000602989615 492010736 /nfs/dbraw/zinc/01/07/36/492010736.db2.gz WJMIHWLVZQGHSG-CQSZACIVSA-N 2 2 366.418 0.040 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986568 668968922 /nfs/dbraw/zinc/96/89/22/668968922.db2.gz PXDSTKMJNNUOQZ-RRFJBIMHSA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986568 668968926 /nfs/dbraw/zinc/96/89/26/668968926.db2.gz PXDSTKMJNNUOQZ-RRFJBIMHSA-N 2 2 351.403 0.787 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019779 1199043535 /nfs/dbraw/zinc/04/35/35/1199043535.db2.gz JIQIVPDCQKBJCU-WBVHZDCISA-N 2 2 362.478 0.892 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019779 1199043538 /nfs/dbraw/zinc/04/35/38/1199043538.db2.gz JIQIVPDCQKBJCU-WBVHZDCISA-N 2 2 362.478 0.892 20 5 FCBDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2)CC1 ZINC001151290332 1222921377 /nfs/dbraw/zinc/92/13/77/1222921377.db2.gz NAPREXQUBICUIR-UHFFFAOYSA-N 2 2 372.385 0.542 20 5 FCBDLP CC[NH+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001120569563 848247130 /nfs/dbraw/zinc/24/71/30/848247130.db2.gz BSWFYINGGXUPCX-UHFFFAOYSA-N 2 2 370.475 0.596 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001120589981 848248644 /nfs/dbraw/zinc/24/86/44/848248644.db2.gz IYDADWOLKRFNPQ-LZWOXQAQSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001120589981 848248653 /nfs/dbraw/zinc/24/86/53/848248653.db2.gz IYDADWOLKRFNPQ-LZWOXQAQSA-N 2 2 352.435 0.558 20 5 FCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000374801748 217175259 /nfs/dbraw/zinc/17/52/59/217175259.db2.gz ONWKYVIKTGTHRP-QGZVFWFLSA-N 2 2 365.430 0.787 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000090548922 208132361 /nfs/dbraw/zinc/13/23/61/208132361.db2.gz SWFFWAGCBPSGEG-OAHLLOKOSA-N 2 2 350.419 0.801 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000090548922 208132366 /nfs/dbraw/zinc/13/23/66/208132366.db2.gz SWFFWAGCBPSGEG-OAHLLOKOSA-N 2 2 350.419 0.801 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000075644922 488397753 /nfs/dbraw/zinc/39/77/53/488397753.db2.gz WBERQHGAROLFNH-BBRMVZONSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000075644922 488397754 /nfs/dbraw/zinc/39/77/54/488397754.db2.gz WBERQHGAROLFNH-BBRMVZONSA-N 2 2 353.423 0.337 20 5 FCBDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000266969604 488748981 /nfs/dbraw/zinc/74/89/81/488748981.db2.gz ZNHHLQZPBVTJKF-OAHLLOKOSA-N 2 2 361.402 0.890 20 5 FCBDLP CC[NH+]1CCN(c2nc(C)c([N+](=O)[O-])c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000159718608 488787029 /nfs/dbraw/zinc/78/70/29/488787029.db2.gz QUMCVMWOTXELBX-UHFFFAOYSA-N 2 2 363.466 0.977 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370843751 489410780 /nfs/dbraw/zinc/41/07/80/489410780.db2.gz SIBUEBOPWXNHNI-HNNXBMFYSA-N 2 2 364.450 0.727 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370843751 489410782 /nfs/dbraw/zinc/41/07/82/489410782.db2.gz SIBUEBOPWXNHNI-HNNXBMFYSA-N 2 2 364.450 0.727 20 5 FCBDLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000489935023 489737054 /nfs/dbraw/zinc/73/70/54/489737054.db2.gz OMAGCBVYEJOMOZ-IAGOWNOFSA-N 2 2 359.430 0.680 20 5 FCBDLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000495658901 490086917 /nfs/dbraw/zinc/08/69/17/490086917.db2.gz SPTXAACRQZHWES-UHFFFAOYSA-N 2 2 372.385 0.284 20 5 FCBDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581176 491737040 /nfs/dbraw/zinc/73/70/40/491737040.db2.gz JVOMRIZTNZNPHW-CQSZACIVSA-N 2 2 350.419 0.942 20 5 FCBDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581176 491737041 /nfs/dbraw/zinc/73/70/41/491737041.db2.gz JVOMRIZTNZNPHW-CQSZACIVSA-N 2 2 350.419 0.942 20 5 FCBDLP C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C[NH3+])C1 ZINC000583995211 491856241 /nfs/dbraw/zinc/85/62/41/491856241.db2.gz YCZXAKGMAYEHJT-HNNXBMFYSA-N 2 2 361.446 0.913 20 5 FCBDLP C[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C[NH3+])C1 ZINC000583995211 491856242 /nfs/dbraw/zinc/85/62/42/491856242.db2.gz YCZXAKGMAYEHJT-HNNXBMFYSA-N 2 2 361.446 0.913 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470507 491933947 /nfs/dbraw/zinc/93/39/47/491933947.db2.gz ONGNRRCNCVCUDW-OAHLLOKOSA-N 2 2 350.419 0.943 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595470507 491933950 /nfs/dbraw/zinc/93/39/50/491933950.db2.gz ONGNRRCNCVCUDW-OAHLLOKOSA-N 2 2 350.419 0.943 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000609571541 492214153 /nfs/dbraw/zinc/21/41/53/492214153.db2.gz CLHCIIUSGFOLOZ-ZDUSSCGKSA-N 2 2 364.450 0.811 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000609571541 492214155 /nfs/dbraw/zinc/21/41/55/492214155.db2.gz CLHCIIUSGFOLOZ-ZDUSSCGKSA-N 2 2 364.450 0.811 20 5 FCBDLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843367567 1222873593 /nfs/dbraw/zinc/87/35/93/1222873593.db2.gz DYZWXQMLQCXRFZ-LJQANCHMSA-N 2 2 373.457 0.929 20 5 FCBDLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843367567 1222873594 /nfs/dbraw/zinc/87/35/94/1222873594.db2.gz DYZWXQMLQCXRFZ-LJQANCHMSA-N 2 2 373.457 0.929 20 5 FCBDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000823683818 1245320482 /nfs/dbraw/zinc/32/04/82/1245320482.db2.gz CBVLWHGOQSJNJR-UHFFFAOYSA-N 2 2 362.430 0.872 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001335441980 1259665476 /nfs/dbraw/zinc/66/54/76/1259665476.db2.gz UXRHKJRZYWDSCJ-JLJPHGGASA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001335441980 1259665491 /nfs/dbraw/zinc/66/54/91/1259665491.db2.gz UXRHKJRZYWDSCJ-JLJPHGGASA-N 2 2 352.435 0.558 20 5 FCBDLP Cn1cc[nH+]c1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567053 248001127 /nfs/dbraw/zinc/00/11/27/248001127.db2.gz PFEYNZNHXFPTDZ-AWEZNQCLSA-N 2 2 373.417 0.696 20 5 FCBDLP Cn1cc[nH+]c1CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC12CC[NH2+]CC2 ZINC000435572491 248001435 /nfs/dbraw/zinc/00/14/35/248001435.db2.gz FTRLZWRTZHBWOE-ZDUSSCGKSA-N 2 2 373.417 0.696 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000090548920 208129945 /nfs/dbraw/zinc/12/99/45/208129945.db2.gz SWFFWAGCBPSGEG-HNNXBMFYSA-N 2 2 350.419 0.801 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000090548920 208129948 /nfs/dbraw/zinc/12/99/48/208129948.db2.gz SWFFWAGCBPSGEG-HNNXBMFYSA-N 2 2 350.419 0.801 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205213 488935309 /nfs/dbraw/zinc/93/53/09/488935309.db2.gz FVPUSROUSRBKRH-ZDUSSCGKSA-N 2 2 350.423 0.384 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205213 488935310 /nfs/dbraw/zinc/93/53/10/488935310.db2.gz FVPUSROUSRBKRH-ZDUSSCGKSA-N 2 2 350.423 0.384 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)CC1 ZINC000126657521 488611076 /nfs/dbraw/zinc/61/10/76/488611076.db2.gz JDZOWWAOKYLUJD-UHFFFAOYSA-N 2 2 363.418 0.984 20 5 FCBDLP COc1ccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000489856105 489731936 /nfs/dbraw/zinc/73/19/36/489731936.db2.gz GJOGUNVRIDUVPI-AWEZNQCLSA-N 2 2 350.419 0.962 20 5 FCBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034868 490526532 /nfs/dbraw/zinc/52/65/32/490526532.db2.gz IRABTKKMBUPLEJ-CHWSQXEVSA-N 2 2 357.432 0.725 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000569669142 491179894 /nfs/dbraw/zinc/17/98/94/491179894.db2.gz SWXCCJARRBBBFT-KRWDZBQOSA-N 2 2 360.418 0.801 20 5 FCBDLP CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589572705 491763984 /nfs/dbraw/zinc/76/39/84/491763984.db2.gz QSCPWZGARSHBPD-CYBMUJFWSA-N 2 2 362.434 0.693 20 5 FCBDLP CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589572705 491763986 /nfs/dbraw/zinc/76/39/86/491763986.db2.gz QSCPWZGARSHBPD-CYBMUJFWSA-N 2 2 362.434 0.693 20 5 FCBDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368075 491809465 /nfs/dbraw/zinc/80/94/65/491809465.db2.gz ULDRSFHWJXZKDQ-DZGCQCFKSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368075 491809466 /nfs/dbraw/zinc/80/94/66/491809466.db2.gz ULDRSFHWJXZKDQ-DZGCQCFKSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368075 491809467 /nfs/dbraw/zinc/80/94/67/491809467.db2.gz ULDRSFHWJXZKDQ-DZGCQCFKSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368075 491809468 /nfs/dbraw/zinc/80/94/68/491809468.db2.gz ULDRSFHWJXZKDQ-DZGCQCFKSA-N 2 2 353.423 0.415 20 5 FCBDLP C[NH+]1CCN(C(=O)C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602528270 491991866 /nfs/dbraw/zinc/99/18/66/491991866.db2.gz OHJWROKMBOJEFA-UHFFFAOYSA-N 2 2 362.434 0.322 20 5 FCBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566844 492231908 /nfs/dbraw/zinc/23/19/08/492231908.db2.gz HTGRCAHHDBTXFU-KGLIPLIRSA-N 2 2 350.423 0.639 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592474826 546950863 /nfs/dbraw/zinc/95/08/63/546950863.db2.gz DIDXOUFLOMAWNK-NHYWBVRUSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592474826 546950867 /nfs/dbraw/zinc/95/08/67/546950867.db2.gz DIDXOUFLOMAWNK-NHYWBVRUSA-N 2 2 352.391 0.980 20 5 FCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819076761 1203149843 /nfs/dbraw/zinc/14/98/43/1203149843.db2.gz FYBDLUZKCZJUNN-AEFFLSMTSA-N 2 2 364.446 0.624 20 5 FCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819076764 1203149899 /nfs/dbraw/zinc/14/98/99/1203149899.db2.gz FYBDLUZKCZJUNN-WMZOPIPTSA-N 2 2 364.446 0.624 20 5 FCBDLP COc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc(OC)c1[N+](=O)[O-] ZINC001155373180 849849223 /nfs/dbraw/zinc/84/92/23/849849223.db2.gz MZXZAPSMBRCFKV-NSHDSACASA-N 2 2 352.395 0.261 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247226723 229279661 /nfs/dbraw/zinc/27/96/61/229279661.db2.gz CZHKXQAXODUYRH-HOCLYGCPSA-N 2 2 353.423 0.196 20 5 FCBDLP Cn1c[nH+]cc1CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971387 490036808 /nfs/dbraw/zinc/03/68/08/490036808.db2.gz HWSDONQVDBKQFR-UHFFFAOYSA-N 2 2 367.431 0.781 20 5 FCBDLP Cn1c[nH+]cc1CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971387 490036812 /nfs/dbraw/zinc/03/68/12/490036812.db2.gz HWSDONQVDBKQFR-UHFFFAOYSA-N 2 2 367.431 0.781 20 5 FCBDLP Cc1ccc(NCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000520547022 490160006 /nfs/dbraw/zinc/16/00/06/490160006.db2.gz LUQOBTSEOUCGNK-AWEZNQCLSA-N 2 2 364.450 0.990 20 5 FCBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422936254 490502306 /nfs/dbraw/zinc/50/23/06/490502306.db2.gz BFHTYLHZFQSDTL-QWHCGFSZSA-N 2 2 372.447 0.230 20 5 FCBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000486456694 490631234 /nfs/dbraw/zinc/63/12/34/490631234.db2.gz DCIVURDVTUGQRO-AWEZNQCLSA-N 2 2 361.402 0.090 20 5 FCBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000486456694 490631239 /nfs/dbraw/zinc/63/12/39/490631239.db2.gz DCIVURDVTUGQRO-AWEZNQCLSA-N 2 2 361.402 0.090 20 5 FCBDLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588870160 491750694 /nfs/dbraw/zinc/75/06/94/491750694.db2.gz VFWYSNFUAGOSIZ-CQSZACIVSA-N 2 2 359.386 0.967 20 5 FCBDLP O=C1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1CC[NH+]1CCOCC1 ZINC000602594263 491993472 /nfs/dbraw/zinc/99/34/72/491993472.db2.gz PXAJESSFZKWMRI-MRXNPFEDSA-N 2 2 362.430 0.660 20 5 FCBDLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1O ZINC000598990375 492128797 /nfs/dbraw/zinc/12/87/97/492128797.db2.gz MBNYFNPYFHVVFG-LBPRGKRZSA-N 2 2 352.391 0.738 20 5 FCBDLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1O ZINC000598990375 492128800 /nfs/dbraw/zinc/12/88/00/492128800.db2.gz MBNYFNPYFHVVFG-LBPRGKRZSA-N 2 2 352.391 0.738 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592474827 546950876 /nfs/dbraw/zinc/95/08/76/546950876.db2.gz DIDXOUFLOMAWNK-XHDPSFHLSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592474827 546950880 /nfs/dbraw/zinc/95/08/80/546950880.db2.gz DIDXOUFLOMAWNK-XHDPSFHLSA-N 2 2 352.391 0.980 20 5 FCBDLP Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000377636167 1182864543 /nfs/dbraw/zinc/86/45/43/1182864543.db2.gz FBSCVENQXWNRMC-CQSZACIVSA-N 2 2 364.450 0.877 20 5 FCBDLP Cc1nn(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000377636167 1182864545 /nfs/dbraw/zinc/86/45/45/1182864545.db2.gz FBSCVENQXWNRMC-CQSZACIVSA-N 2 2 364.450 0.877 20 5 FCBDLP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819076762 1203149732 /nfs/dbraw/zinc/14/97/32/1203149732.db2.gz FYBDLUZKCZJUNN-FUHWJXTLSA-N 2 2 364.446 0.624 20 5 FCBDLP [NH3+]C1CC[NH+]([C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001345945453 871572780 /nfs/dbraw/zinc/57/27/80/871572780.db2.gz VDGFSHCJBIYCGU-MRXNPFEDSA-N 2 2 368.459 0.922 20 5 FCBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000555419164 491250376 /nfs/dbraw/zinc/25/03/76/491250376.db2.gz YVMHWNGKUWWFBI-UHFFFAOYSA-N 2 2 351.403 0.960 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362706900 489392995 /nfs/dbraw/zinc/39/29/95/489392995.db2.gz RKDCVWXDRBOLHC-AWEZNQCLSA-N 2 2 364.450 0.775 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362706900 489392996 /nfs/dbraw/zinc/39/29/96/489392996.db2.gz RKDCVWXDRBOLHC-AWEZNQCLSA-N 2 2 364.450 0.775 20 5 FCBDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034870 490525800 /nfs/dbraw/zinc/52/58/00/490525800.db2.gz IRABTKKMBUPLEJ-QWHCGFSZSA-N 2 2 357.432 0.725 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000579361578 491696386 /nfs/dbraw/zinc/69/63/86/491696386.db2.gz YXVCILFQIPIPHK-UHFFFAOYSA-N 2 2 350.419 0.583 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818986636 668968742 /nfs/dbraw/zinc/96/87/42/668968742.db2.gz QSNWOCTXLRBHRT-INMHGKMJSA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818986636 668968747 /nfs/dbraw/zinc/96/87/47/668968747.db2.gz QSNWOCTXLRBHRT-INMHGKMJSA-N 2 2 351.403 0.787 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019778 1199042746 /nfs/dbraw/zinc/04/27/46/1199042746.db2.gz JIQIVPDCQKBJCU-RDJZCZTQSA-N 2 2 362.478 0.892 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019778 1199042758 /nfs/dbraw/zinc/04/27/58/1199042758.db2.gz JIQIVPDCQKBJCU-RDJZCZTQSA-N 2 2 362.478 0.892 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869104 1210410941 /nfs/dbraw/zinc/41/09/41/1210410941.db2.gz PBIXCRNAYRGIIJ-WMLDXEAASA-N 2 2 362.430 0.913 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869104 1210410946 /nfs/dbraw/zinc/41/09/46/1210410946.db2.gz PBIXCRNAYRGIIJ-WMLDXEAASA-N 2 2 362.430 0.913 20 5 FCBDLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843349094 1222871742 /nfs/dbraw/zinc/87/17/42/1222871742.db2.gz GVBUYUCFPJYYNI-OAHLLOKOSA-N 2 2 361.446 0.785 20 5 FCBDLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843349094 1222871744 /nfs/dbraw/zinc/87/17/44/1222871744.db2.gz GVBUYUCFPJYYNI-OAHLLOKOSA-N 2 2 361.446 0.785 20 5 FCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246921660 857605524 /nfs/dbraw/zinc/60/55/24/857605524.db2.gz SQXJGDZOAFTYJI-AWEZNQCLSA-N 3 2 351.451 0.642 20 5 FCBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246921660 857605526 /nfs/dbraw/zinc/60/55/26/857605526.db2.gz SQXJGDZOAFTYJI-AWEZNQCLSA-N 3 2 351.451 0.642 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889872 215374844 /nfs/dbraw/zinc/37/48/44/215374844.db2.gz WBERQHGAROLFNH-XJKSGUPXSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889872 215374847 /nfs/dbraw/zinc/37/48/47/215374847.db2.gz WBERQHGAROLFNH-XJKSGUPXSA-N 2 2 353.423 0.337 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181913286 209124235 /nfs/dbraw/zinc/12/42/35/209124235.db2.gz RIDGFXQFRPWHSV-HZPDHXFCSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181913286 209124239 /nfs/dbraw/zinc/12/42/39/209124239.db2.gz RIDGFXQFRPWHSV-HZPDHXFCSA-N 2 2 365.430 0.989 20 5 FCBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000118834533 208351528 /nfs/dbraw/zinc/35/15/28/208351528.db2.gz JOALKXULRGWKOL-INIZCTEOSA-N 2 2 361.446 0.906 20 5 FCBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000118834533 208351530 /nfs/dbraw/zinc/35/15/30/208351530.db2.gz JOALKXULRGWKOL-INIZCTEOSA-N 2 2 361.446 0.906 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000252465861 488517774 /nfs/dbraw/zinc/51/77/74/488517774.db2.gz PPJKPZBMYVVZKJ-DOTOQJQBSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000252465861 488517776 /nfs/dbraw/zinc/51/77/76/488517776.db2.gz PPJKPZBMYVVZKJ-DOTOQJQBSA-N 2 2 365.430 0.989 20 5 FCBDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000127584931 488618658 /nfs/dbraw/zinc/61/86/58/488618658.db2.gz XMOQBVBHUUDOTO-UHFFFAOYSA-N 2 2 363.418 0.629 20 5 FCBDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264802047 488714052 /nfs/dbraw/zinc/71/40/52/488714052.db2.gz YXXLPOKRYUQWJG-AWEZNQCLSA-N 2 2 358.402 0.756 20 5 FCBDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264802047 488714054 /nfs/dbraw/zinc/71/40/54/488714054.db2.gz YXXLPOKRYUQWJG-AWEZNQCLSA-N 2 2 358.402 0.756 20 5 FCBDLP COc1ccc(OCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000489856107 489731594 /nfs/dbraw/zinc/73/15/94/489731594.db2.gz GJOGUNVRIDUVPI-CQSZACIVSA-N 2 2 350.419 0.962 20 5 FCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430603004 489751117 /nfs/dbraw/zinc/75/11/17/489751117.db2.gz IQACGYQUYUAPQI-CYBMUJFWSA-N 2 2 363.418 0.629 20 5 FCBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430603004 489751122 /nfs/dbraw/zinc/75/11/22/489751122.db2.gz IQACGYQUYUAPQI-CYBMUJFWSA-N 2 2 363.418 0.629 20 5 FCBDLP Cc1ccc(NCCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000520547023 490160081 /nfs/dbraw/zinc/16/00/81/490160081.db2.gz LUQOBTSEOUCGNK-CQSZACIVSA-N 2 2 364.450 0.990 20 5 FCBDLP CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422934215 490501711 /nfs/dbraw/zinc/50/17/11/490501711.db2.gz JGKZAZPKMCNIAI-GJZGRUSLSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000422949712 490505163 /nfs/dbraw/zinc/50/51/63/490505163.db2.gz WBWGLNXBSCWQNO-IUODEOHRSA-N 2 2 356.448 0.993 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000543202544 490925112 /nfs/dbraw/zinc/92/51/12/490925112.db2.gz GUIMZNDLJFEEDT-AWEZNQCLSA-N 2 2 361.402 0.875 20 5 FCBDLP C[N@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000575309675 491548287 /nfs/dbraw/zinc/54/82/87/491548287.db2.gz SHQLDGBHVPCVCK-SNVBAGLBSA-N 2 2 369.809 0.079 20 5 FCBDLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000575933923 491571405 /nfs/dbraw/zinc/57/14/05/491571405.db2.gz ZYYFHSRCXIVEGY-GOSISDBHSA-N 2 2 371.397 0.967 20 5 FCBDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602772692 491997459 /nfs/dbraw/zinc/99/74/59/491997459.db2.gz NIQCMGRAHSIGOZ-UHFFFAOYSA-N 2 2 352.439 0.586 20 5 FCBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602989649 492010469 /nfs/dbraw/zinc/01/04/69/492010469.db2.gz YAWTUXZZTNTPHE-HNNXBMFYSA-N 2 2 366.418 0.040 20 5 FCBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602989649 492010470 /nfs/dbraw/zinc/01/04/70/492010470.db2.gz YAWTUXZZTNTPHE-HNNXBMFYSA-N 2 2 366.418 0.040 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594821988 547014402 /nfs/dbraw/zinc/01/44/02/547014402.db2.gz RNKRAYIQMLYROX-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594821988 547014404 /nfs/dbraw/zinc/01/44/04/547014404.db2.gz RNKRAYIQMLYROX-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869102 1210410614 /nfs/dbraw/zinc/41/06/14/1210410614.db2.gz PBIXCRNAYRGIIJ-PBHICJAKSA-N 2 2 362.430 0.913 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869102 1210410616 /nfs/dbraw/zinc/41/06/16/1210410616.db2.gz PBIXCRNAYRGIIJ-PBHICJAKSA-N 2 2 362.430 0.913 20 5 FCBDLP COc1cc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001246299881 857573087 /nfs/dbraw/zinc/57/30/87/857573087.db2.gz NWSGHEIDGIBGBS-SWLSCSKDSA-N 2 2 350.419 0.742 20 5 FCBDLP Cc1n[nH]c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000332167567 215105020 /nfs/dbraw/zinc/10/50/20/215105020.db2.gz RYWFYSSTLTXMBE-UHFFFAOYSA-N 2 2 350.423 0.915 20 5 FCBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436057599 248030739 /nfs/dbraw/zinc/03/07/39/248030739.db2.gz YQIJPTJAWQRBDJ-ZDUSSCGKSA-N 2 2 363.418 0.853 20 5 FCBDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436057599 248030742 /nfs/dbraw/zinc/03/07/42/248030742.db2.gz YQIJPTJAWQRBDJ-ZDUSSCGKSA-N 2 2 363.418 0.853 20 5 FCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112921532 208303802 /nfs/dbraw/zinc/30/38/02/208303802.db2.gz AXGTTXLHXPABJZ-UHFFFAOYSA-N 2 2 365.434 0.241 20 5 FCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112921532 208303807 /nfs/dbraw/zinc/30/38/07/208303807.db2.gz AXGTTXLHXPABJZ-UHFFFAOYSA-N 2 2 365.434 0.241 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129354491 488630263 /nfs/dbraw/zinc/63/02/63/488630263.db2.gz PPJKPZBMYVVZKJ-WBVHZDCISA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129354491 488630264 /nfs/dbraw/zinc/63/02/64/488630264.db2.gz PPJKPZBMYVVZKJ-WBVHZDCISA-N 2 2 365.430 0.989 20 5 FCBDLP Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476385710 489883642 /nfs/dbraw/zinc/88/36/42/489883642.db2.gz BFUWAMQOOAGTMO-UHFFFAOYSA-N 2 2 350.423 0.617 20 5 FCBDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423034869 490525542 /nfs/dbraw/zinc/52/55/42/490525542.db2.gz IRABTKKMBUPLEJ-OLZOCXBDSA-N 2 2 357.432 0.725 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000543202546 490924907 /nfs/dbraw/zinc/92/49/07/490924907.db2.gz GUIMZNDLJFEEDT-CQSZACIVSA-N 2 2 361.402 0.875 20 5 FCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573504221 491437441 /nfs/dbraw/zinc/43/74/41/491437441.db2.gz LZRRWJJMZPXIMM-UHFFFAOYSA-N 2 2 350.423 0.670 20 5 FCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573504221 491437443 /nfs/dbraw/zinc/43/74/43/491437443.db2.gz LZRRWJJMZPXIMM-UHFFFAOYSA-N 2 2 350.423 0.670 20 5 FCBDLP Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000578893023 491686633 /nfs/dbraw/zinc/68/66/33/491686633.db2.gz OZJNQNUWKLLVCN-UHFFFAOYSA-N 2 2 372.447 0.185 20 5 FCBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566843 492231953 /nfs/dbraw/zinc/23/19/53/492231953.db2.gz HTGRCAHHDBTXFU-KBPBESRZSA-N 2 2 350.423 0.639 20 5 FCBDLP Cc1c[nH]c(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000600162097 492248455 /nfs/dbraw/zinc/24/84/55/492248455.db2.gz RYOICUSUEAUNGA-UHFFFAOYSA-N 2 2 353.404 0.995 20 5 FCBDLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475087 546951466 /nfs/dbraw/zinc/95/14/66/546951466.db2.gz NBMPOBVEGMQKRI-XHDPSFHLSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475087 546951468 /nfs/dbraw/zinc/95/14/68/546951468.db2.gz NBMPOBVEGMQKRI-XHDPSFHLSA-N 2 2 352.391 0.980 20 5 FCBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594821802 547013978 /nfs/dbraw/zinc/01/39/78/547013978.db2.gz NVIXDAZWYHHHSJ-UHFFFAOYSA-N 2 2 358.464 0.898 20 5 FCBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000594821802 547013983 /nfs/dbraw/zinc/01/39/83/547013983.db2.gz NVIXDAZWYHHHSJ-UHFFFAOYSA-N 2 2 358.464 0.898 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986567 668968516 /nfs/dbraw/zinc/96/85/16/668968516.db2.gz PXDSTKMJNNUOQZ-RBSFLKMASA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986567 668968519 /nfs/dbraw/zinc/96/85/19/668968519.db2.gz PXDSTKMJNNUOQZ-RBSFLKMASA-N 2 2 351.403 0.787 20 5 FCBDLP Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000377636166 1182864727 /nfs/dbraw/zinc/86/47/27/1182864727.db2.gz FBSCVENQXWNRMC-AWEZNQCLSA-N 2 2 364.450 0.877 20 5 FCBDLP Cc1nn(C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000377636166 1182864729 /nfs/dbraw/zinc/86/47/29/1182864729.db2.gz FBSCVENQXWNRMC-AWEZNQCLSA-N 2 2 364.450 0.877 20 5 FCBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819078176 1203149745 /nfs/dbraw/zinc/14/97/45/1203149745.db2.gz SWTUAKOORPMOCP-AEFFLSMTSA-N 2 2 364.446 0.624 20 5 FCBDLP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819078179 1203150010 /nfs/dbraw/zinc/15/00/10/1203150010.db2.gz SWTUAKOORPMOCP-WMZOPIPTSA-N 2 2 364.446 0.624 20 5 FCBDLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843349093 1222871707 /nfs/dbraw/zinc/87/17/07/1222871707.db2.gz GVBUYUCFPJYYNI-HNNXBMFYSA-N 2 2 361.446 0.785 20 5 FCBDLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843349093 1222871709 /nfs/dbraw/zinc/87/17/09/1222871709.db2.gz GVBUYUCFPJYYNI-HNNXBMFYSA-N 2 2 361.446 0.785 20 5 FCBDLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843367566 1222873777 /nfs/dbraw/zinc/87/37/77/1222873777.db2.gz DYZWXQMLQCXRFZ-IBGZPJMESA-N 2 2 373.457 0.929 20 5 FCBDLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843367566 1222873780 /nfs/dbraw/zinc/87/37/80/1222873780.db2.gz DYZWXQMLQCXRFZ-IBGZPJMESA-N 2 2 373.457 0.929 20 5 FCBDLP O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001593483235 1286173905 /nfs/dbraw/zinc/17/39/05/1286173905.db2.gz XJGRLQSKMOGVDO-UHFFFAOYSA-N 2 2 355.362 0.820 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414975620 245337224 /nfs/dbraw/zinc/33/72/24/245337224.db2.gz MIBVEDJVNZSJPE-CYBMUJFWSA-N 2 2 352.391 0.140 20 5 FCBDLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000081016464 488438934 /nfs/dbraw/zinc/43/89/34/488438934.db2.gz WNFPKTWKCUTOCN-CYBMUJFWSA-N 2 2 368.463 0.651 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000362708024 489392975 /nfs/dbraw/zinc/39/29/75/489392975.db2.gz AQQMZFQSWGDLCV-CYBMUJFWSA-N 2 2 350.423 0.466 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000362708024 489392976 /nfs/dbraw/zinc/39/29/76/489392976.db2.gz AQQMZFQSWGDLCV-CYBMUJFWSA-N 2 2 350.423 0.466 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000500294044 490499903 /nfs/dbraw/zinc/49/99/03/490499903.db2.gz ZAQFHFHQJNGEFX-HNNXBMFYSA-N 2 2 361.402 0.875 20 5 FCBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000422931681 490500607 /nfs/dbraw/zinc/50/06/07/490500607.db2.gz CLGDPTUHPDOKQA-IUODEOHRSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859693 490619702 /nfs/dbraw/zinc/61/97/02/490619702.db2.gz WEPFHYSONPAHDY-JSGCOSHPSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859693 490619706 /nfs/dbraw/zinc/61/97/06/490619706.db2.gz WEPFHYSONPAHDY-JSGCOSHPSA-N 2 2 368.459 0.945 20 5 FCBDLP O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594917762 491872033 /nfs/dbraw/zinc/87/20/33/491872033.db2.gz NJXMWEWSEZSTAC-UHFFFAOYSA-N 2 2 365.415 0.806 20 5 FCBDLP CCOc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000595903624 491960519 /nfs/dbraw/zinc/96/05/19/491960519.db2.gz YWZFFFORKMCAOX-UHFFFAOYSA-N 2 2 352.391 0.636 20 5 FCBDLP COC(=O)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)C[NH2+]1 ZINC001169132821 850608239 /nfs/dbraw/zinc/60/82/39/850608239.db2.gz ZKBLSZNJGXSAFU-OLZOCXBDSA-N 2 2 352.391 0.851 20 5 FCBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436057598 248031576 /nfs/dbraw/zinc/03/15/76/248031576.db2.gz YQIJPTJAWQRBDJ-CYBMUJFWSA-N 2 2 363.418 0.853 20 5 FCBDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436057598 248031578 /nfs/dbraw/zinc/03/15/78/248031578.db2.gz YQIJPTJAWQRBDJ-CYBMUJFWSA-N 2 2 363.418 0.853 20 5 FCBDLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174780293 488851270 /nfs/dbraw/zinc/85/12/70/488851270.db2.gz UAZYCJBYWAJBRX-CQSZACIVSA-N 2 2 362.390 0.378 20 5 FCBDLP CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365629588 489094122 /nfs/dbraw/zinc/09/41/22/489094122.db2.gz NJSBZDGKMGYATG-AWEZNQCLSA-N 2 2 363.418 0.936 20 5 FCBDLP CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365629588 489094124 /nfs/dbraw/zinc/09/41/24/489094124.db2.gz NJSBZDGKMGYATG-AWEZNQCLSA-N 2 2 363.418 0.936 20 5 FCBDLP C[C@@H](O)C[NH+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447804866 490279403 /nfs/dbraw/zinc/27/94/03/490279403.db2.gz GZKIKFCTEFLDHJ-OAHLLOKOSA-N 2 2 364.446 0.930 20 5 FCBDLP C[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448622195 490369221 /nfs/dbraw/zinc/36/92/21/490369221.db2.gz NIHJDJDETFZKHN-UHFFFAOYSA-N 2 2 358.402 0.758 20 5 FCBDLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000486456697 490631617 /nfs/dbraw/zinc/63/16/17/490631617.db2.gz DCIVURDVTUGQRO-CQSZACIVSA-N 2 2 361.402 0.090 20 5 FCBDLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c([N+](=O)[O-])c1 ZINC000486456697 490631620 /nfs/dbraw/zinc/63/16/20/490631620.db2.gz DCIVURDVTUGQRO-CQSZACIVSA-N 2 2 361.402 0.090 20 5 FCBDLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000582289277 491805813 /nfs/dbraw/zinc/80/58/13/491805813.db2.gz RCTRSFMTMLPZKU-GFCCVEGCSA-N 2 2 365.390 0.796 20 5 FCBDLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000582289277 491805814 /nfs/dbraw/zinc/80/58/14/491805814.db2.gz RCTRSFMTMLPZKU-GFCCVEGCSA-N 2 2 365.390 0.796 20 5 FCBDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000595513235 491938934 /nfs/dbraw/zinc/93/89/34/491938934.db2.gz SUQUQNZVCQQSLD-UHFFFAOYSA-N 2 2 352.435 0.829 20 5 FCBDLP COc1cc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000593901233 546993809 /nfs/dbraw/zinc/99/38/09/546993809.db2.gz COXGLQZWCNYAMA-GFCCVEGCSA-N 2 2 354.407 0.550 20 5 FCBDLP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155381327 1223034415 /nfs/dbraw/zinc/03/44/15/1223034415.db2.gz FKHDQHMMNSXTGA-CYBMUJFWSA-N 2 2 363.422 0.511 20 5 FCBDLP C[NH+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336700618 1260205245 /nfs/dbraw/zinc/20/52/45/1260205245.db2.gz YILBASCMBUSWRD-UHFFFAOYSA-N 2 2 356.448 0.206 20 5 FCBDLP COc1cc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001246299879 857572999 /nfs/dbraw/zinc/57/29/99/857572999.db2.gz NWSGHEIDGIBGBS-IUODEOHRSA-N 2 2 350.419 0.742 20 5 FCBDLP COC(=O)COc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415102360 245350841 /nfs/dbraw/zinc/35/08/41/245350841.db2.gz DQBGNYDQTVNPRZ-CYBMUJFWSA-N 2 2 353.375 0.696 20 5 FCBDLP COC(=O)COc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415102360 245350852 /nfs/dbraw/zinc/35/08/52/245350852.db2.gz DQBGNYDQTVNPRZ-CYBMUJFWSA-N 2 2 353.375 0.696 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181913305 209123353 /nfs/dbraw/zinc/12/33/53/209123353.db2.gz RIDGFXQFRPWHSV-CVEARBPZSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181913305 209123356 /nfs/dbraw/zinc/12/33/56/209123356.db2.gz RIDGFXQFRPWHSV-CVEARBPZSA-N 2 2 365.430 0.989 20 5 FCBDLP Cc1nn(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000177152334 488859274 /nfs/dbraw/zinc/85/92/74/488859274.db2.gz GSYRIBKAPBBINU-UHFFFAOYSA-N 2 2 366.466 0.940 20 5 FCBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289216444 489050033 /nfs/dbraw/zinc/05/00/33/489050033.db2.gz KWJJREGWXRKJOB-OAHLLOKOSA-N 2 2 370.413 0.900 20 5 FCBDLP CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840521 489410140 /nfs/dbraw/zinc/41/01/40/489410140.db2.gz WCJGDCKYBGQAMM-CQSZACIVSA-N 2 2 350.423 0.418 20 5 FCBDLP CN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840521 489410141 /nfs/dbraw/zinc/41/01/41/489410141.db2.gz WCJGDCKYBGQAMM-CQSZACIVSA-N 2 2 350.423 0.418 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000500294045 490500086 /nfs/dbraw/zinc/50/00/86/490500086.db2.gz ZAQFHFHQJNGEFX-OAHLLOKOSA-N 2 2 361.402 0.875 20 5 FCBDLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422949725 490504617 /nfs/dbraw/zinc/50/46/17/490504617.db2.gz WCRHRPZJAQMKEN-GJZGRUSLSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883824 490618950 /nfs/dbraw/zinc/61/89/50/490618950.db2.gz YGOZQZVQTXNENT-BLLLJJGKSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883824 490618957 /nfs/dbraw/zinc/61/89/57/490618957.db2.gz YGOZQZVQTXNENT-BLLLJJGKSA-N 2 2 368.459 0.945 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000569669143 491180124 /nfs/dbraw/zinc/18/01/24/491180124.db2.gz SWXCCJARRBBBFT-QGZVFWFLSA-N 2 2 360.418 0.801 20 5 FCBDLP COC(=O)COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567899135 491539503 /nfs/dbraw/zinc/53/95/03/491539503.db2.gz PRUOABIJEGIHAJ-ZDUSSCGKSA-N 2 2 352.391 0.221 20 5 FCBDLP COC(=O)COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567899135 491539504 /nfs/dbraw/zinc/53/95/04/491539504.db2.gz PRUOABIJEGIHAJ-ZDUSSCGKSA-N 2 2 352.391 0.221 20 5 FCBDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579943145 491710449 /nfs/dbraw/zinc/71/04/49/491710449.db2.gz CZJGBNYJSBEQST-CQSZACIVSA-N 2 2 370.475 0.594 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472060 546950594 /nfs/dbraw/zinc/95/05/94/546950594.db2.gz GUWPUOVMKNJCJH-UHFFFAOYSA-N 2 2 351.407 0.379 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472060 546950597 /nfs/dbraw/zinc/95/05/97/546950597.db2.gz GUWPUOVMKNJCJH-UHFFFAOYSA-N 2 2 351.407 0.379 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818986637 668968873 /nfs/dbraw/zinc/96/88/73/668968873.db2.gz QSNWOCTXLRBHRT-UXLLHSPISA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818986637 668968875 /nfs/dbraw/zinc/96/88/75/668968875.db2.gz QSNWOCTXLRBHRT-UXLLHSPISA-N 2 2 351.403 0.787 20 5 FCBDLP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592468101 1196563905 /nfs/dbraw/zinc/56/39/05/1196563905.db2.gz CLZMOCBSKQSCKF-UHFFFAOYSA-N 2 2 358.402 0.758 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869105 1210410667 /nfs/dbraw/zinc/41/06/67/1210410667.db2.gz PBIXCRNAYRGIIJ-YOEHRIQHSA-N 2 2 362.430 0.913 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869105 1210410671 /nfs/dbraw/zinc/41/06/71/1210410671.db2.gz PBIXCRNAYRGIIJ-YOEHRIQHSA-N 2 2 362.430 0.913 20 5 FCBDLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1[NH3+] ZINC000843353917 1222872367 /nfs/dbraw/zinc/87/23/67/1222872367.db2.gz RAQOVPCAIDQITH-RHSMWYFYSA-N 2 2 361.446 0.913 20 5 FCBDLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1[NH3+] ZINC000843353917 1222872369 /nfs/dbraw/zinc/87/23/69/1222872369.db2.gz RAQOVPCAIDQITH-RHSMWYFYSA-N 2 2 361.446 0.913 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001335441982 1259665946 /nfs/dbraw/zinc/66/59/46/1259665946.db2.gz UXRHKJRZYWDSCJ-QRTARXTBSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335441982 1259665954 /nfs/dbraw/zinc/66/59/54/1259665954.db2.gz UXRHKJRZYWDSCJ-QRTARXTBSA-N 2 2 352.435 0.558 20 5 FCBDLP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001163129257 850356600 /nfs/dbraw/zinc/35/66/00/850356600.db2.gz JOMWHDZEKHNAHM-UHFFFAOYSA-N 2 2 352.399 0.930 20 5 FCBDLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000079496983 208091294 /nfs/dbraw/zinc/09/12/94/208091294.db2.gz QLMMJYXVCIHYDR-DGCLKSJQSA-N 2 2 354.436 0.261 20 5 FCBDLP O=C(NCCCN1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238035586 488458179 /nfs/dbraw/zinc/45/81/79/488458179.db2.gz HFMNDDWXRDUIIT-UHFFFAOYSA-N 2 2 358.402 0.806 20 5 FCBDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000422008831 490125851 /nfs/dbraw/zinc/12/58/51/490125851.db2.gz PZJSPVRTGHIITN-UHFFFAOYSA-N 2 2 364.450 0.810 20 5 FCBDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000422008831 490125857 /nfs/dbraw/zinc/12/58/57/490125857.db2.gz PZJSPVRTGHIITN-UHFFFAOYSA-N 2 2 364.450 0.810 20 5 FCBDLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450957163 490503105 /nfs/dbraw/zinc/50/31/05/490503105.db2.gz KDYNFRRHCLOFDN-CYBMUJFWSA-N 2 2 359.386 0.919 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859704 490618365 /nfs/dbraw/zinc/61/83/65/490618365.db2.gz WEPFHYSONPAHDY-TZMCWYRMSA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536859704 490618369 /nfs/dbraw/zinc/61/83/69/490618369.db2.gz WEPFHYSONPAHDY-TZMCWYRMSA-N 2 2 368.459 0.945 20 5 FCBDLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1C ZINC000566499379 491448961 /nfs/dbraw/zinc/44/89/61/491448961.db2.gz RONSEXBWFKBUCK-UHFFFAOYSA-N 2 2 353.404 0.705 20 5 FCBDLP COC(=O)COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567899134 491539467 /nfs/dbraw/zinc/53/94/67/491539467.db2.gz PRUOABIJEGIHAJ-CYBMUJFWSA-N 2 2 352.391 0.221 20 5 FCBDLP COC(=O)COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567899134 491539468 /nfs/dbraw/zinc/53/94/68/491539468.db2.gz PRUOABIJEGIHAJ-CYBMUJFWSA-N 2 2 352.391 0.221 20 5 FCBDLP C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000583626197 491848814 /nfs/dbraw/zinc/84/88/14/491848814.db2.gz IMFJEHFOZTVCQK-HOCLYGCPSA-N 2 2 353.419 0.892 20 5 FCBDLP COc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000602989359 492010644 /nfs/dbraw/zinc/01/06/44/492010644.db2.gz MTFIPVBTCQLIFX-UHFFFAOYSA-N 2 2 366.418 0.688 20 5 FCBDLP COc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000602989359 492010647 /nfs/dbraw/zinc/01/06/47/492010647.db2.gz MTFIPVBTCQLIFX-UHFFFAOYSA-N 2 2 366.418 0.688 20 5 FCBDLP Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571509 492214333 /nfs/dbraw/zinc/21/43/33/492214333.db2.gz BMFFLVNZXKKJQT-LBPRGKRZSA-N 2 2 350.423 0.535 20 5 FCBDLP Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571509 492214335 /nfs/dbraw/zinc/21/43/35/492214335.db2.gz BMFFLVNZXKKJQT-LBPRGKRZSA-N 2 2 350.423 0.535 20 5 FCBDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566845 492231919 /nfs/dbraw/zinc/23/19/19/492231919.db2.gz HTGRCAHHDBTXFU-UONOGXRCSA-N 2 2 350.423 0.639 20 5 FCBDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591723306 1284854870 /nfs/dbraw/zinc/85/48/70/1284854870.db2.gz ZBLCNIJOKRLXFP-NSHDSACASA-N 2 2 363.426 0.854 20 5 FCBDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591723306 1284854882 /nfs/dbraw/zinc/85/48/82/1284854882.db2.gz ZBLCNIJOKRLXFP-NSHDSACASA-N 2 2 363.426 0.854 20 5 FCBDLP COc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001158260570 850030599 /nfs/dbraw/zinc/03/05/99/850030599.db2.gz FLJMWTUMBHROPS-SNVBAGLBSA-N 2 2 352.395 0.404 20 5 FCBDLP COc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001158260570 850030606 /nfs/dbraw/zinc/03/06/06/850030606.db2.gz FLJMWTUMBHROPS-SNVBAGLBSA-N 2 2 352.395 0.404 20 5 FCBDLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)S1 ZINC000079496981 208091787 /nfs/dbraw/zinc/09/17/87/208091787.db2.gz QLMMJYXVCIHYDR-YPMHNXCESA-N 2 2 354.436 0.261 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000050799094 488114500 /nfs/dbraw/zinc/11/45/00/488114500.db2.gz DIMZQUNDELGUSU-UHFFFAOYSA-N 2 2 350.423 0.466 20 5 FCBDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000298111731 489292740 /nfs/dbraw/zinc/29/27/40/489292740.db2.gz OIGZWKLKLOSGQA-UHFFFAOYSA-N 2 2 362.434 0.276 20 5 FCBDLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000489935022 489736713 /nfs/dbraw/zinc/73/67/13/489736713.db2.gz OMAGCBVYEJOMOZ-DLBZAZTESA-N 2 2 359.430 0.680 20 5 FCBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422936250 490501964 /nfs/dbraw/zinc/50/19/64/490501964.db2.gz BFHTYLHZFQSDTL-CHWSQXEVSA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422933866 490502158 /nfs/dbraw/zinc/50/21/58/490502158.db2.gz IOMYYKIJTKZPQW-STQMWFEESA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000422974815 490508921 /nfs/dbraw/zinc/50/89/21/490508921.db2.gz ARNOFKPGQFWCAQ-OLZOCXBDSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422974800 490509018 /nfs/dbraw/zinc/50/90/18/490509018.db2.gz AOXYKYBGZZZBBJ-STQMWFEESA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640861 491488927 /nfs/dbraw/zinc/48/89/27/491488927.db2.gz SSQYJUMVKYCPPN-CZUORRHYSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000559640861 491488928 /nfs/dbraw/zinc/48/89/28/491488928.db2.gz SSQYJUMVKYCPPN-CZUORRHYSA-N 2 2 353.423 0.337 20 5 FCBDLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000575933924 491571374 /nfs/dbraw/zinc/57/13/74/491571374.db2.gz ZYYFHSRCXIVEGY-SFHVURJKSA-N 2 2 371.397 0.967 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718308 491723556 /nfs/dbraw/zinc/72/35/56/491723556.db2.gz CHIZRQPXZDFVGT-GDBMZVCRSA-N 2 2 353.423 0.339 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718308 491723557 /nfs/dbraw/zinc/72/35/57/491723557.db2.gz CHIZRQPXZDFVGT-GDBMZVCRSA-N 2 2 353.423 0.339 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718314 491723761 /nfs/dbraw/zinc/72/37/61/491723761.db2.gz CHIZRQPXZDFVGT-GOEBONIOSA-N 2 2 353.423 0.339 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718314 491723762 /nfs/dbraw/zinc/72/37/62/491723762.db2.gz CHIZRQPXZDFVGT-GOEBONIOSA-N 2 2 353.423 0.339 20 5 FCBDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368077 491809537 /nfs/dbraw/zinc/80/95/37/491809537.db2.gz ULDRSFHWJXZKDQ-UKRRQHHQSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368077 491809538 /nfs/dbraw/zinc/80/95/38/491809538.db2.gz ULDRSFHWJXZKDQ-UKRRQHHQSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368077 491809539 /nfs/dbraw/zinc/80/95/39/491809539.db2.gz ULDRSFHWJXZKDQ-UKRRQHHQSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368077 491809540 /nfs/dbraw/zinc/80/95/40/491809540.db2.gz ULDRSFHWJXZKDQ-UKRRQHHQSA-N 2 2 353.423 0.415 20 5 FCBDLP C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C[NH3+])C1 ZINC000583995212 491856256 /nfs/dbraw/zinc/85/62/56/491856256.db2.gz YCZXAKGMAYEHJT-OAHLLOKOSA-N 2 2 361.446 0.913 20 5 FCBDLP C[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C[NH3+])C1 ZINC000583995212 491856257 /nfs/dbraw/zinc/85/62/57/491856257.db2.gz YCZXAKGMAYEHJT-OAHLLOKOSA-N 2 2 361.446 0.913 20 5 FCBDLP O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594928069 491872604 /nfs/dbraw/zinc/87/26/04/491872604.db2.gz ZEZXVUZSJDFDPU-UHFFFAOYSA-N 2 2 365.415 0.806 20 5 FCBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602989650 492010882 /nfs/dbraw/zinc/01/08/82/492010882.db2.gz YAWTUXZZTNTPHE-OAHLLOKOSA-N 2 2 366.418 0.040 20 5 FCBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000602989650 492010883 /nfs/dbraw/zinc/01/08/83/492010883.db2.gz YAWTUXZZTNTPHE-OAHLLOKOSA-N 2 2 366.418 0.040 20 5 FCBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199603 492141135 /nfs/dbraw/zinc/14/11/35/492141135.db2.gz MVHIMFISWVQNJV-HNNXBMFYSA-N 2 2 350.419 0.906 20 5 FCBDLP O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199603 492141137 /nfs/dbraw/zinc/14/11/37/492141137.db2.gz MVHIMFISWVQNJV-HNNXBMFYSA-N 2 2 350.419 0.906 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000610336100 492242847 /nfs/dbraw/zinc/24/28/47/492242847.db2.gz ZLHZTOZWJURFAK-QGZVFWFLSA-N 2 2 360.418 0.801 20 5 FCBDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244185 492282696 /nfs/dbraw/zinc/28/26/96/492282696.db2.gz HCLQOAXYIXOVMX-HNNXBMFYSA-N 2 2 363.418 0.171 20 5 FCBDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611244185 492282697 /nfs/dbraw/zinc/28/26/97/492282697.db2.gz HCLQOAXYIXOVMX-HNNXBMFYSA-N 2 2 363.418 0.171 20 5 FCBDLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592472019 1196625336 /nfs/dbraw/zinc/62/53/36/1196625336.db2.gz DFQGTIQQVKWPIR-UHFFFAOYSA-N 2 2 365.390 0.099 20 5 FCBDLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592472019 1196625341 /nfs/dbraw/zinc/62/53/41/1196625341.db2.gz DFQGTIQQVKWPIR-UHFFFAOYSA-N 2 2 365.390 0.099 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869103 1210410969 /nfs/dbraw/zinc/41/09/69/1210410969.db2.gz PBIXCRNAYRGIIJ-RHSMWYFYSA-N 2 2 362.430 0.913 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000825869103 1210410975 /nfs/dbraw/zinc/41/09/75/1210410975.db2.gz PBIXCRNAYRGIIJ-RHSMWYFYSA-N 2 2 362.430 0.913 20 5 FCBDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000879592613 1210490663 /nfs/dbraw/zinc/49/06/63/1210490663.db2.gz NLRCRNNVZLTPLX-UHFFFAOYSA-N 2 2 361.446 0.906 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001335441981 1259665771 /nfs/dbraw/zinc/66/57/71/1259665771.db2.gz UXRHKJRZYWDSCJ-LXZKKBNFSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001335441981 1259665778 /nfs/dbraw/zinc/66/57/78/1259665778.db2.gz UXRHKJRZYWDSCJ-LXZKKBNFSA-N 2 2 352.435 0.558 20 5 FCBDLP [NH3+]CC[N@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693063 850733085 /nfs/dbraw/zinc/73/30/85/850733085.db2.gz YILLTZFESODQSG-UHFFFAOYSA-N 2 2 372.447 0.001 20 5 FCBDLP [NH3+]CC[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173693063 850733087 /nfs/dbraw/zinc/73/30/87/850733087.db2.gz YILLTZFESODQSG-UHFFFAOYSA-N 2 2 372.447 0.001 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000360876189 215372513 /nfs/dbraw/zinc/37/25/13/215372513.db2.gz YUNAZFFUEHSTEI-CYBMUJFWSA-N 2 2 365.438 0.259 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000360876189 215372515 /nfs/dbraw/zinc/37/25/15/215372515.db2.gz YUNAZFFUEHSTEI-CYBMUJFWSA-N 2 2 365.438 0.259 20 5 FCBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000193495278 209312779 /nfs/dbraw/zinc/31/27/79/209312779.db2.gz CYYOBEJUFDTWBW-UHFFFAOYSA-N 2 2 363.418 0.984 20 5 FCBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112921522 208304743 /nfs/dbraw/zinc/30/47/43/208304743.db2.gz XNRVARYKXMWXGU-UHFFFAOYSA-N 2 2 352.439 0.666 20 5 FCBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112921522 208304749 /nfs/dbraw/zinc/30/47/49/208304749.db2.gz XNRVARYKXMWXGU-UHFFFAOYSA-N 2 2 352.439 0.666 20 5 FCBDLP Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000178904325 209066036 /nfs/dbraw/zinc/06/60/36/209066036.db2.gz XUCIERVLCQRKPX-INIZCTEOSA-N 2 2 362.430 0.926 20 5 FCBDLP CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829336 489408644 /nfs/dbraw/zinc/40/86/44/489408644.db2.gz FWBJMSJYTADEOB-CQSZACIVSA-N 2 2 350.423 0.418 20 5 FCBDLP CN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829336 489408646 /nfs/dbraw/zinc/40/86/46/489408646.db2.gz FWBJMSJYTADEOB-CQSZACIVSA-N 2 2 350.423 0.418 20 5 FCBDLP CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838443 489408979 /nfs/dbraw/zinc/40/89/79/489408979.db2.gz GEUIQHXJKAYONZ-OAHLLOKOSA-N 2 2 364.450 0.808 20 5 FCBDLP CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838443 489408983 /nfs/dbraw/zinc/40/89/83/489408983.db2.gz GEUIQHXJKAYONZ-OAHLLOKOSA-N 2 2 364.450 0.808 20 5 FCBDLP O=C1[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000489935566 489736663 /nfs/dbraw/zinc/73/66/63/489736663.db2.gz OMAGCBVYEJOMOZ-SJORKVTESA-N 2 2 359.430 0.680 20 5 FCBDLP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490632857 489778191 /nfs/dbraw/zinc/77/81/91/489778191.db2.gz YZXDUVTXBHBTMY-RDJZCZTQSA-N 2 2 363.462 0.714 20 5 FCBDLP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490632857 489778195 /nfs/dbraw/zinc/77/81/95/489778195.db2.gz YZXDUVTXBHBTMY-RDJZCZTQSA-N 2 2 363.462 0.714 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376895151 489813712 /nfs/dbraw/zinc/81/37/12/489813712.db2.gz VVYFPDDGEXTHQI-CYBMUJFWSA-N 2 2 362.434 0.813 20 5 FCBDLP CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376895151 489813715 /nfs/dbraw/zinc/81/37/15/489813715.db2.gz VVYFPDDGEXTHQI-CYBMUJFWSA-N 2 2 362.434 0.813 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883827 490618557 /nfs/dbraw/zinc/61/85/57/490618557.db2.gz YGOZQZVQTXNENT-WBMJQRKESA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536883827 490618563 /nfs/dbraw/zinc/61/85/63/490618563.db2.gz YGOZQZVQTXNENT-WBMJQRKESA-N 2 2 368.459 0.945 20 5 FCBDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581175 491737020 /nfs/dbraw/zinc/73/70/20/491737020.db2.gz JVOMRIZTNZNPHW-AWEZNQCLSA-N 2 2 350.419 0.942 20 5 FCBDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000580581175 491737021 /nfs/dbraw/zinc/73/70/21/491737021.db2.gz JVOMRIZTNZNPHW-AWEZNQCLSA-N 2 2 350.419 0.942 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986566 668968827 /nfs/dbraw/zinc/96/88/27/668968827.db2.gz PXDSTKMJNNUOQZ-KFWWJZLASA-N 2 2 351.403 0.787 20 5 FCBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986566 668968831 /nfs/dbraw/zinc/96/88/31/668968831.db2.gz PXDSTKMJNNUOQZ-KFWWJZLASA-N 2 2 351.403 0.787 20 5 FCBDLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212314985 854438339 /nfs/dbraw/zinc/43/83/39/854438339.db2.gz OQWITBQTGACDMI-SNVBAGLBSA-N 2 2 351.342 0.602 20 5 FCBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925083 857605484 /nfs/dbraw/zinc/60/54/84/857605484.db2.gz KZIQIWZDIJGTLY-AWEZNQCLSA-N 3 2 351.451 0.642 20 5 FCBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925083 857605487 /nfs/dbraw/zinc/60/54/87/857605487.db2.gz KZIQIWZDIJGTLY-AWEZNQCLSA-N 3 2 351.451 0.642 20 5 FCBDLP C[NH+](C)CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000015206895 487576830 /nfs/dbraw/zinc/57/68/30/487576830.db2.gz XVPFQTMUIZDCBL-UHFFFAOYSA-N 2 2 371.463 0.504 20 5 FCBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273059809 488629052 /nfs/dbraw/zinc/62/90/52/488629052.db2.gz SNVCXONKBHILHM-AWEZNQCLSA-N 2 2 366.418 0.040 20 5 FCBDLP CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365629589 489093916 /nfs/dbraw/zinc/09/39/16/489093916.db2.gz NJSBZDGKMGYATG-CQSZACIVSA-N 2 2 363.418 0.936 20 5 FCBDLP CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365629589 489093918 /nfs/dbraw/zinc/09/39/18/489093918.db2.gz NJSBZDGKMGYATG-CQSZACIVSA-N 2 2 363.418 0.936 20 5 FCBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000370039616 489308438 /nfs/dbraw/zinc/30/84/38/489308438.db2.gz YUHGRUDJKAIQHW-UHFFFAOYSA-N 2 2 364.450 0.704 20 5 FCBDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422974797 490509142 /nfs/dbraw/zinc/50/91/42/490509142.db2.gz AOXYKYBGZZZBBJ-CHWSQXEVSA-N 2 2 372.447 0.230 20 5 FCBDLP C[N@@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000515842028 490840737 /nfs/dbraw/zinc/84/07/37/490840737.db2.gz KSULBGIDHAYNHE-LBPRGKRZSA-N 2 2 350.375 0.010 20 5 FCBDLP C[N@H+]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C[NH3+])C1 ZINC000515842028 490840738 /nfs/dbraw/zinc/84/07/38/490840738.db2.gz KSULBGIDHAYNHE-LBPRGKRZSA-N 2 2 350.375 0.010 20 5 FCBDLP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CCN2C1=O ZINC000568414509 491575465 /nfs/dbraw/zinc/57/54/65/491575465.db2.gz MWOAWMJLKFHHOF-STQMWFEESA-N 2 2 370.369 0.165 20 5 FCBDLP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611236375 492282282 /nfs/dbraw/zinc/28/22/82/492282282.db2.gz KKLOVCDPPUYBLS-CYBMUJFWSA-N 2 2 350.423 0.569 20 5 FCBDLP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611236375 492282283 /nfs/dbraw/zinc/28/22/83/492282283.db2.gz KKLOVCDPPUYBLS-CYBMUJFWSA-N 2 2 350.423 0.569 20 5 FCBDLP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611236376 492282377 /nfs/dbraw/zinc/28/23/77/492282377.db2.gz KKLOVCDPPUYBLS-ZDUSSCGKSA-N 2 2 350.423 0.569 20 5 FCBDLP CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611236376 492282379 /nfs/dbraw/zinc/28/23/79/492282379.db2.gz KKLOVCDPPUYBLS-ZDUSSCGKSA-N 2 2 350.423 0.569 20 5 FCBDLP O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123820 1168365315 /nfs/dbraw/zinc/36/53/15/1168365315.db2.gz IWVVALKTFHAVAJ-UHFFFAOYSA-N 2 2 358.406 0.832 20 5 FCBDLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1[NH3+] ZINC000843353919 1222872214 /nfs/dbraw/zinc/87/22/14/1222872214.db2.gz RAQOVPCAIDQITH-YOEHRIQHSA-N 2 2 361.446 0.913 20 5 FCBDLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1[NH3+] ZINC000843353919 1222872215 /nfs/dbraw/zinc/87/22/15/1222872215.db2.gz RAQOVPCAIDQITH-YOEHRIQHSA-N 2 2 361.446 0.913 20 5 FCBDLP O=[N+]([O-])c1c(NCC2([NH+]3CCCC3)COC2)ncnc1N1CC[NH2+]CC1 ZINC001157649804 1223079794 /nfs/dbraw/zinc/07/97/94/1223079794.db2.gz CVFHRRQSPXNCGS-UHFFFAOYSA-N 2 2 363.422 0.071 20 5 FCBDLP Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001336696656 1260204231 /nfs/dbraw/zinc/20/42/31/1260204231.db2.gz ABDUNKJFGNRHHG-UHFFFAOYSA-N 2 2 350.423 0.617 20 5 FCBDLP COc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc(OC)c1[N+](=O)[O-] ZINC001155373179 849849430 /nfs/dbraw/zinc/84/94/30/849849430.db2.gz MZXZAPSMBRCFKV-LLVKDONJSA-N 2 2 352.395 0.261 20 5 FCBDLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212314984 854438490 /nfs/dbraw/zinc/43/84/90/854438490.db2.gz OQWITBQTGACDMI-JTQLQIEISA-N 2 2 351.342 0.602 20 5 FCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925085 857605400 /nfs/dbraw/zinc/60/54/00/857605400.db2.gz KZIQIWZDIJGTLY-CQSZACIVSA-N 3 2 351.451 0.642 20 5 FCBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925085 857605405 /nfs/dbraw/zinc/60/54/05/857605405.db2.gz KZIQIWZDIJGTLY-CQSZACIVSA-N 3 2 351.451 0.642 20 5 FCBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415049400 245343459 /nfs/dbraw/zinc/34/34/59/245343459.db2.gz YBAXPYGKRVONMX-ZDUSSCGKSA-N 2 2 353.375 0.615 20 5 FCBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262211586 488557130 /nfs/dbraw/zinc/55/71/30/488557130.db2.gz DYNSBMHWTBGJOQ-OAHLLOKOSA-N 2 2 370.413 0.900 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177121591 488859282 /nfs/dbraw/zinc/85/92/82/488859282.db2.gz WCAZCQJRFDTOLB-UHFFFAOYSA-N 2 2 352.439 0.632 20 5 FCBDLP O=C(NCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456584181 489620594 /nfs/dbraw/zinc/62/05/94/489620594.db2.gz PWGPOFHAOSINNK-UHFFFAOYSA-N 2 2 359.386 0.967 20 5 FCBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[NH2+]1 ZINC000422949713 490504674 /nfs/dbraw/zinc/50/46/74/490504674.db2.gz WBWGLNXBSCWQNO-SWLSCSKDSA-N 2 2 356.448 0.993 20 5 FCBDLP Cn1c[nH+]cc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000573725751 491451071 /nfs/dbraw/zinc/45/10/71/491451071.db2.gz NPOVYNVLIJDUBN-UHFFFAOYSA-N 2 2 353.404 0.697 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718317 491723597 /nfs/dbraw/zinc/72/35/97/491723597.db2.gz CHIZRQPXZDFVGT-ZBFHGGJFSA-N 2 2 353.423 0.339 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000585718317 491723598 /nfs/dbraw/zinc/72/35/98/491723598.db2.gz CHIZRQPXZDFVGT-ZBFHGGJFSA-N 2 2 353.423 0.339 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592474825 546950812 /nfs/dbraw/zinc/95/08/12/546950812.db2.gz DIDXOUFLOMAWNK-IAQYHMDHSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592474825 546950814 /nfs/dbraw/zinc/95/08/14/546950814.db2.gz DIDXOUFLOMAWNK-IAQYHMDHSA-N 2 2 352.391 0.980 20 5 FCBDLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1[NH3+] ZINC000843353918 1222872050 /nfs/dbraw/zinc/87/20/50/1222872050.db2.gz RAQOVPCAIDQITH-WMLDXEAASA-N 2 2 361.446 0.913 20 5 FCBDLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1[NH3+] ZINC000843353918 1222872051 /nfs/dbraw/zinc/87/20/51/1222872051.db2.gz RAQOVPCAIDQITH-WMLDXEAASA-N 2 2 361.446 0.913 20 5 FCBDLP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158267184 1223093204 /nfs/dbraw/zinc/09/32/04/1223093204.db2.gz QNMGRAOGHJVVSR-GFCCVEGCSA-N 2 2 363.422 0.653 20 5 FCBDLP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158267184 1223093207 /nfs/dbraw/zinc/09/32/07/1223093207.db2.gz QNMGRAOGHJVVSR-GFCCVEGCSA-N 2 2 363.422 0.653 20 5 FCBDLP O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580821961 1278996181 /nfs/dbraw/zinc/99/61/81/1278996181.db2.gz KKHCKHDOGBIKMC-UHFFFAOYSA-N 2 2 356.386 0.510 20 5 FCBDLP COC(=O)c1nc(Cl)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001160510691 850178299 /nfs/dbraw/zinc/17/82/99/850178299.db2.gz IPOJASKHJNUMEU-CQSZACIVSA-N 2 2 370.797 0.660 20 5 FCBDLP COc1cc(N2CCC([NH2+][C@H]3C[NH2+]C[C@@H]3CO)CC2)ccc1[N+](=O)[O-] ZINC001246299878 857572933 /nfs/dbraw/zinc/57/29/33/857572933.db2.gz NWSGHEIDGIBGBS-DOMZBBRYSA-N 2 2 350.419 0.742 20 5 FCBDLP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000374801747 217175948 /nfs/dbraw/zinc/17/59/48/217175948.db2.gz ONWKYVIKTGTHRP-KRWDZBQOSA-N 2 2 365.430 0.787 20 5 FCBDLP C[NH+]1CCN(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000073119996 208044395 /nfs/dbraw/zinc/04/43/95/208044395.db2.gz ZMBKJUORWZRNLZ-UHFFFAOYSA-N 2 2 358.402 0.758 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129354294 488630371 /nfs/dbraw/zinc/63/03/71/488630371.db2.gz PPJKPZBMYVVZKJ-NVXWUHKLSA-N 2 2 365.430 0.989 20 5 FCBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129354294 488630374 /nfs/dbraw/zinc/63/03/74/488630374.db2.gz PPJKPZBMYVVZKJ-NVXWUHKLSA-N 2 2 365.430 0.989 20 5 FCBDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161431885 488796975 /nfs/dbraw/zinc/79/69/75/488796975.db2.gz ZNVGKCXEJWQQJX-UHFFFAOYSA-N 2 2 353.427 0.117 20 5 FCBDLP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435390294 490000488 /nfs/dbraw/zinc/00/04/88/490000488.db2.gz AVUUKKHJXODWOR-UHFFFAOYSA-N 2 2 372.429 0.859 20 5 FCBDLP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435390294 490000490 /nfs/dbraw/zinc/00/04/90/490000490.db2.gz AVUUKKHJXODWOR-UHFFFAOYSA-N 2 2 372.429 0.859 20 5 FCBDLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450794712 490489586 /nfs/dbraw/zinc/48/95/86/490489586.db2.gz KDYNFRRHCLOFDN-ZDUSSCGKSA-N 2 2 359.386 0.919 20 5 FCBDLP CNc1nccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000583574416 491847828 /nfs/dbraw/zinc/84/78/28/491847828.db2.gz YEUIWMNMUHYOTB-UHFFFAOYSA-N 2 2 364.450 1.130 20 5 FCBDLP CNc1nccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000583574416 491847829 /nfs/dbraw/zinc/84/78/29/491847829.db2.gz YEUIWMNMUHYOTB-UHFFFAOYSA-N 2 2 364.450 1.130 20 5 FCBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618566846 492231660 /nfs/dbraw/zinc/23/16/60/492231660.db2.gz HTGRCAHHDBTXFU-ZIAGYGMSSA-N 2 2 350.423 0.639 20 5 FCBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000610336099 492242859 /nfs/dbraw/zinc/24/28/59/492242859.db2.gz ZLHZTOZWJURFAK-KRWDZBQOSA-N 2 2 360.418 0.801 20 5 FCBDLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475085 546951503 /nfs/dbraw/zinc/95/15/03/546951503.db2.gz NBMPOBVEGMQKRI-IAQYHMDHSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000592475085 546951505 /nfs/dbraw/zinc/95/15/05/546951505.db2.gz NBMPOBVEGMQKRI-IAQYHMDHSA-N 2 2 352.391 0.980 20 5 FCBDLP CCOc1ccc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472273 1196625365 /nfs/dbraw/zinc/62/53/65/1196625365.db2.gz RATDWWWEBWEQBI-UHFFFAOYSA-N 2 2 365.434 0.769 20 5 FCBDLP CCOc1ccc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592472273 1196625371 /nfs/dbraw/zinc/62/53/71/1196625371.db2.gz RATDWWWEBWEQBI-UHFFFAOYSA-N 2 2 365.434 0.769 20 5 FCBDLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889871 215373504 /nfs/dbraw/zinc/37/35/04/215373504.db2.gz WBERQHGAROLFNH-CZUORRHYSA-N 2 2 353.423 0.337 20 5 FCBDLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000360889871 215373508 /nfs/dbraw/zinc/37/35/08/215373508.db2.gz WBERQHGAROLFNH-CZUORRHYSA-N 2 2 353.423 0.337 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205212 488935449 /nfs/dbraw/zinc/93/54/49/488935449.db2.gz FVPUSROUSRBKRH-CYBMUJFWSA-N 2 2 350.423 0.384 20 5 FCBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205212 488935450 /nfs/dbraw/zinc/93/54/50/488935450.db2.gz FVPUSROUSRBKRH-CYBMUJFWSA-N 2 2 350.423 0.384 20 5 FCBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262211585 488557338 /nfs/dbraw/zinc/55/73/38/488557338.db2.gz DYNSBMHWTBGJOQ-HNNXBMFYSA-N 2 2 370.413 0.900 20 5 FCBDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127546649 488618147 /nfs/dbraw/zinc/61/81/47/488618147.db2.gz TYKMNLCHRVTPLT-UHFFFAOYSA-N 2 2 363.418 0.629 20 5 FCBDLP C[NH+](C)C1CC[NH+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000267180444 488767385 /nfs/dbraw/zinc/76/73/85/488767385.db2.gz KFJTWFXGOPONJB-UHFFFAOYSA-N 2 2 371.463 0.680 20 5 FCBDLP C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCn1cc[nH+]c1 ZINC000420972288 490037089 /nfs/dbraw/zinc/03/70/89/490037089.db2.gz KCTAIFXYPWKRJR-UHFFFAOYSA-N 2 2 353.404 0.702 20 5 FCBDLP C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCn1cc[nH+]c1 ZINC000420972288 490037092 /nfs/dbraw/zinc/03/70/92/490037092.db2.gz KCTAIFXYPWKRJR-UHFFFAOYSA-N 2 2 353.404 0.702 20 5 FCBDLP C[C@H](O)C[NH+]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447811642 490278896 /nfs/dbraw/zinc/27/88/96/490278896.db2.gz GZKIKFCTEFLDHJ-HNNXBMFYSA-N 2 2 364.446 0.930 20 5 FCBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000422931682 490500155 /nfs/dbraw/zinc/50/01/55/490500155.db2.gz CLGDPTUHPDOKQA-SWLSCSKDSA-N 2 2 356.448 0.993 20 5 FCBDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422936257 490501902 /nfs/dbraw/zinc/50/19/02/490501902.db2.gz BFHTYLHZFQSDTL-STQMWFEESA-N 2 2 372.447 0.230 20 5 FCBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[NH2+]1 ZINC000422949711 490504712 /nfs/dbraw/zinc/50/47/12/490504712.db2.gz WBWGLNXBSCWQNO-DOMZBBRYSA-N 2 2 356.448 0.993 20 5 FCBDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000513968402 490756928 /nfs/dbraw/zinc/75/69/28/490756928.db2.gz CJFJJDFEJKLDAE-UHFFFAOYSA-N 2 2 361.446 0.881 20 5 FCBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600756802 491880517 /nfs/dbraw/zinc/88/05/17/491880517.db2.gz MPJLXCJLCSYIRV-HNNXBMFYSA-N 2 2 363.418 0.853 20 5 FCBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600756802 491880518 /nfs/dbraw/zinc/88/05/18/491880518.db2.gz MPJLXCJLCSYIRV-HNNXBMFYSA-N 2 2 363.418 0.853 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470497 491933977 /nfs/dbraw/zinc/93/39/77/491933977.db2.gz ONGNRRCNCVCUDW-HNNXBMFYSA-N 2 2 350.419 0.943 20 5 FCBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595470497 491933980 /nfs/dbraw/zinc/93/39/80/491933980.db2.gz ONGNRRCNCVCUDW-HNNXBMFYSA-N 2 2 350.419 0.943 20 5 FCBDLP COc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821956 547014240 /nfs/dbraw/zinc/01/42/40/547014240.db2.gz RDFQECRQPPBDPM-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP COc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821956 547014245 /nfs/dbraw/zinc/01/42/45/547014245.db2.gz RDFQECRQPPBDPM-UHFFFAOYSA-N 2 2 374.463 0.765 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019776 1199043179 /nfs/dbraw/zinc/04/31/79/1199043179.db2.gz JIQIVPDCQKBJCU-DOTOQJQBSA-N 2 2 362.478 0.892 20 5 FCBDLP C[NH+]1CCN(Cc2cn3c(n2)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC3)CC1 ZINC001169019776 1199043187 /nfs/dbraw/zinc/04/31/87/1199043187.db2.gz JIQIVPDCQKBJCU-DOTOQJQBSA-N 2 2 362.478 0.892 20 5 FCBDLP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158267186 1223092799 /nfs/dbraw/zinc/09/27/99/1223092799.db2.gz QNMGRAOGHJVVSR-LBPRGKRZSA-N 2 2 363.422 0.653 20 5 FCBDLP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158267186 1223092803 /nfs/dbraw/zinc/09/28/03/1223092803.db2.gz QNMGRAOGHJVVSR-LBPRGKRZSA-N 2 2 363.422 0.653 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001120589983 848249292 /nfs/dbraw/zinc/24/92/92/848249292.db2.gz IYDADWOLKRFNPQ-SQWLQELKSA-N 2 2 352.435 0.558 20 5 FCBDLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC001120589983 848249302 /nfs/dbraw/zinc/24/93/02/848249302.db2.gz IYDADWOLKRFNPQ-SQWLQELKSA-N 2 2 352.435 0.558 20 5 FCBDLP Cc1nn(C)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264858691 210002421 /nfs/dbraw/zinc/00/24/21/210002421.db2.gz DJTOFZCTMOMHOU-UHFFFAOYSA-N 2 2 352.439 0.735 20 5 FCBDLP Cc1nn(C)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264858691 210002425 /nfs/dbraw/zinc/00/24/25/210002425.db2.gz DJTOFZCTMOMHOU-UHFFFAOYSA-N 2 2 352.439 0.735 20 5 FCBDLP CN(C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000931483602 674117234 /nfs/dbraw/zinc/11/72/34/674117234.db2.gz FDIDEKHKPOPREQ-UHFFFAOYSA-N 2 2 350.419 0.946 20 5 FCBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000362708025 489393415 /nfs/dbraw/zinc/39/34/15/489393415.db2.gz AQQMZFQSWGDLCV-ZDUSSCGKSA-N 2 2 350.423 0.466 20 5 FCBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000362708025 489393419 /nfs/dbraw/zinc/39/34/19/489393419.db2.gz AQQMZFQSWGDLCV-ZDUSSCGKSA-N 2 2 350.423 0.466 20 5 FCBDLP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490632859 489777855 /nfs/dbraw/zinc/77/78/55/489777855.db2.gz YZXDUVTXBHBTMY-WBVHZDCISA-N 2 2 363.462 0.714 20 5 FCBDLP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490632859 489777857 /nfs/dbraw/zinc/77/78/57/489777857.db2.gz YZXDUVTXBHBTMY-WBVHZDCISA-N 2 2 363.462 0.714 20 5 FCBDLP O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CN1CC[NH+]1CCOCC1 ZINC000478258903 490012398 /nfs/dbraw/zinc/01/23/98/490012398.db2.gz PIUCCMBLCJMZIK-AWEZNQCLSA-N 2 2 366.393 0.757 20 5 FCBDLP CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589572706 491763998 /nfs/dbraw/zinc/76/39/98/491763998.db2.gz QSCPWZGARSHBPD-ZDUSSCGKSA-N 2 2 362.434 0.693 20 5 FCBDLP CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589572706 491764000 /nfs/dbraw/zinc/76/40/00/491764000.db2.gz QSCPWZGARSHBPD-ZDUSSCGKSA-N 2 2 362.434 0.693 20 5 FCBDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809625 /nfs/dbraw/zinc/80/96/25/491809625.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809626 /nfs/dbraw/zinc/80/96/26/491809626.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809628 /nfs/dbraw/zinc/80/96/28/491809628.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 2 2 353.423 0.415 20 5 FCBDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000582368076 491809630 /nfs/dbraw/zinc/80/96/30/491809630.db2.gz ULDRSFHWJXZKDQ-HIFRSBDPSA-N 2 2 353.423 0.415 20 5 FCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000602784725 491998120 /nfs/dbraw/zinc/99/81/20/491998120.db2.gz JMEWRTGKKNEDLV-AWEZNQCLSA-N 2 2 350.423 0.338 20 5 FCBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000602784725 491998121 /nfs/dbraw/zinc/99/81/21/491998121.db2.gz JMEWRTGKKNEDLV-AWEZNQCLSA-N 2 2 350.423 0.338 20 5 FCBDLP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989702 492010891 /nfs/dbraw/zinc/01/08/91/492010891.db2.gz ZTCOHXQYSSXBQC-UHFFFAOYSA-N 2 2 363.418 0.629 20 5 FCBDLP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989702 492010893 /nfs/dbraw/zinc/01/08/93/492010893.db2.gz ZTCOHXQYSSXBQC-UHFFFAOYSA-N 2 2 363.418 0.629 20 5 FCBDLP Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571504 492214359 /nfs/dbraw/zinc/21/43/59/492214359.db2.gz BMFFLVNZXKKJQT-GFCCVEGCSA-N 2 2 350.423 0.535 20 5 FCBDLP Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571504 492214361 /nfs/dbraw/zinc/21/43/61/492214361.db2.gz BMFFLVNZXKKJQT-GFCCVEGCSA-N 2 2 350.423 0.535 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475174 546951337 /nfs/dbraw/zinc/95/13/37/546951337.db2.gz ZPQUECPRFNKCSI-IAQYHMDHSA-N 2 2 352.391 0.980 20 5 FCBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475174 546951339 /nfs/dbraw/zinc/95/13/39/546951339.db2.gz ZPQUECPRFNKCSI-IAQYHMDHSA-N 2 2 352.391 0.980 20 5 FCBDLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000843355702 1222872712 /nfs/dbraw/zinc/87/27/12/1222872712.db2.gz HXGMOJUERPXQKI-GOSISDBHSA-N 2 2 361.446 0.960 20 5 FCBDLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000843355703 1222872927 /nfs/dbraw/zinc/87/29/27/1222872927.db2.gz HXGMOJUERPXQKI-SFHVURJKSA-N 2 2 361.446 0.960 20 5 FCBDLP