smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261675618 209466562 /nfs/dbraw/zinc/46/65/62/209466562.db2.gz CEVVFGNCNFNJSP-HIFRSBDPSA-N 1 3 350.423 0.372 20 5 FCBDHO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797302 488114240 /nfs/dbraw/zinc/11/42/40/488114240.db2.gz OHXQBDOITHXEFE-UHFFFAOYSA-N 1 3 364.450 0.775 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000562994628 491206535 /nfs/dbraw/zinc/20/65/35/491206535.db2.gz DMTFMTSSBMESEL-IKGGRYGDSA-N 1 3 367.450 0.510 20 5 FCBDHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000130551726 488638662 /nfs/dbraw/zinc/63/86/62/488638662.db2.gz OBWKNCSRFDFQMP-UHFFFAOYSA-N 1 3 365.434 0.794 20 5 FCBDHO COC(=O)COc1ccc(CNCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000474369348 489757919 /nfs/dbraw/zinc/75/79/19/489757919.db2.gz LLQCMPAGPNOQSN-UHFFFAOYSA-N 1 3 367.402 0.693 20 5 FCBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923365022 667828154 /nfs/dbraw/zinc/82/81/54/667828154.db2.gz FGPWHQDJMGOABQ-CABCVRRESA-N 1 3 350.419 0.314 20 5 FCBDHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004487 668970031 /nfs/dbraw/zinc/97/00/31/668970031.db2.gz POVRBKSRGHQNAT-GOEBONIOSA-N 1 3 350.419 0.805 20 5 FCBDHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005248 668969841 /nfs/dbraw/zinc/96/98/41/668969841.db2.gz ZLNBJPPOOQTGOX-HOCLYGCPSA-N 1 3 350.419 0.805 20 5 FCBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923365023 667827923 /nfs/dbraw/zinc/82/79/23/667827923.db2.gz FGPWHQDJMGOABQ-GJZGRUSLSA-N 1 3 350.419 0.314 20 5 FCBDHO C[C@H](CN)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697154 850734445 /nfs/dbraw/zinc/73/44/45/850734445.db2.gz KNCATCCNOTUYJR-GFCCVEGCSA-N 1 3 356.448 0.932 20 5 FCBDHO O=C(NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845747 488538265 /nfs/dbraw/zinc/53/82/65/488538265.db2.gz LYFLZJWQBWLMEA-KGLIPLIRSA-N 1 3 350.423 0.372 20 5 FCBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125593154 488602403 /nfs/dbraw/zinc/60/24/03/488602403.db2.gz FOPNKTZHKZPCRI-HNNXBMFYSA-N 1 3 366.466 0.974 20 5 FCBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125593154 488602406 /nfs/dbraw/zinc/60/24/06/488602406.db2.gz FOPNKTZHKZPCRI-HNNXBMFYSA-N 1 3 366.466 0.974 20 5 FCBDHO CN1CCC(N2CCC([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000579582044 491700902 /nfs/dbraw/zinc/70/09/02/491700902.db2.gz HWIGTIKJCYKFFF-QGZVFWFLSA-N 1 3 366.466 0.300 20 5 FCBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000583204391 491840186 /nfs/dbraw/zinc/84/01/86/491840186.db2.gz JWTDDQVAIHYTBM-INIZCTEOSA-N 1 3 353.419 0.771 20 5 FCBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366607 667827861 /nfs/dbraw/zinc/82/78/61/667827861.db2.gz NONAYWWITNKNKL-JKSUJKDBSA-N 1 3 350.419 0.314 20 5 FCBDHO NCc1cc(-c2ccncc2)nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160344774 1223155959 /nfs/dbraw/zinc/15/59/59/1223155959.db2.gz QPGQCLZHFDJCFN-UHFFFAOYSA-N 1 3 352.358 0.778 20 5 FCBDHO O=C(NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261675622 209465325 /nfs/dbraw/zinc/46/53/25/209465325.db2.gz CEVVFGNCNFNJSP-ZFWWWQNUSA-N 1 3 350.423 0.372 20 5 FCBDHO C[NH+](C)CCNC(=O)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090553841 488460279 /nfs/dbraw/zinc/46/02/79/488460279.db2.gz SEJUOXMLTQNPAS-UHFFFAOYSA-N 1 3 365.434 0.146 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000562994629 491206789 /nfs/dbraw/zinc/20/67/89/491206789.db2.gz DMTFMTSSBMESEL-IXDOHACOSA-N 1 3 367.450 0.510 20 5 FCBDHO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490653769 489779436 /nfs/dbraw/zinc/77/94/36/489779436.db2.gz YIOFEHCADNPRPT-OIISXLGYSA-N 1 3 366.466 0.110 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000569962450 491206573 /nfs/dbraw/zinc/20/65/73/491206573.db2.gz YCGLOZIIOJHFON-OAGGEKHMSA-N 1 3 353.423 0.120 20 5 FCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000540922373 490840060 /nfs/dbraw/zinc/84/00/60/490840060.db2.gz XFGJSODYJQVYAE-UHFFFAOYSA-N 1 3 352.391 0.889 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001325844317 870056838 /nfs/dbraw/zinc/05/68/38/870056838.db2.gz QCPPOKFXZBRODZ-CZUORRHYSA-N 1 3 353.423 0.243 20 5 FCBDHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000414703740 245313738 /nfs/dbraw/zinc/31/37/38/245313738.db2.gz LWZDJBLXSSLSNS-HNNXBMFYSA-N 1 3 361.446 0.914 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000562994615 491206514 /nfs/dbraw/zinc/20/65/14/491206514.db2.gz DMTFMTSSBMESEL-BRWVUGGUSA-N 1 3 367.450 0.510 20 5 FCBDHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000126419180 488609111 /nfs/dbraw/zinc/60/91/11/488609111.db2.gz BSQWNEXPWOCBLN-INIZCTEOSA-N 1 3 354.455 0.110 20 5 FCBDHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000126419180 488609112 /nfs/dbraw/zinc/60/91/12/488609112.db2.gz BSQWNEXPWOCBLN-INIZCTEOSA-N 1 3 354.455 0.110 20 5 FCBDHO CN1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000564863542 491331897 /nfs/dbraw/zinc/33/18/97/491331897.db2.gz IHLHZKUKPWBLBI-INIZCTEOSA-N 1 3 366.462 0.950 20 5 FCBDHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000560686599 491552437 /nfs/dbraw/zinc/55/24/37/491552437.db2.gz VWUONHKYSHPZLD-UHFFFAOYSA-N 1 3 365.434 0.794 20 5 FCBDHO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000595903581 491960253 /nfs/dbraw/zinc/96/02/53/491960253.db2.gz XYRWBBBHSMXJRY-UHFFFAOYSA-N 1 3 352.391 0.636 20 5 FCBDHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923489611 1245725260 /nfs/dbraw/zinc/72/52/60/1245725260.db2.gz PXJRQFGXJLWOAF-HNNXBMFYSA-N 1 3 361.446 0.914 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001591021516 1284077019 /nfs/dbraw/zinc/07/70/19/1284077019.db2.gz OCVQOXWYDJIUAR-ZIAGYGMSSA-N 1 3 374.449 0.951 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001591021516 1284077032 /nfs/dbraw/zinc/07/70/32/1284077032.db2.gz OCVQOXWYDJIUAR-ZIAGYGMSSA-N 1 3 374.449 0.951 20 5 FCBDHO [NH3+]CC1(NC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001173694708 850734005 /nfs/dbraw/zinc/73/40/05/850734005.db2.gz CCROLBUWJFLGLT-UHFFFAOYSA-N 1 3 354.432 0.829 20 5 FCBDHO C[C@@H](CN)C[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173697160 850734610 /nfs/dbraw/zinc/73/46/10/850734610.db2.gz KNCATCCNOTUYJR-LBPRGKRZSA-N 1 3 356.448 0.932 20 5 FCBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699678 488868593 /nfs/dbraw/zinc/86/85/93/488868593.db2.gz ZEEZVJWPYNSJHK-AWEZNQCLSA-N 1 3 352.439 0.666 20 5 FCBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699678 488868597 /nfs/dbraw/zinc/86/85/97/488868597.db2.gz ZEEZVJWPYNSJHK-AWEZNQCLSA-N 1 3 352.439 0.666 20 5 FCBDHO C[NH+]1CCC(N2CCC(NC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000050797868 488114055 /nfs/dbraw/zinc/11/40/55/488114055.db2.gz MFCCHNAXKNHDDA-UHFFFAOYSA-N 1 3 350.423 0.466 20 5 FCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130617475 488639227 /nfs/dbraw/zinc/63/92/27/488639227.db2.gz CFUDVJFBJVGONI-UHFFFAOYSA-N 1 3 351.407 0.485 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173962947 488846551 /nfs/dbraw/zinc/84/65/51/488846551.db2.gz FBVWPSYMTPBWMS-INIZCTEOSA-N 1 3 367.450 0.729 20 5 FCBDHO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490653767 489779301 /nfs/dbraw/zinc/77/93/01/489779301.db2.gz YIOFEHCADNPRPT-DJIMGWMZSA-N 1 3 366.466 0.110 20 5 FCBDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948503 246937356 /nfs/dbraw/zinc/93/73/56/246937356.db2.gz SALKVAKOMANAOR-WFASDCNBSA-N 1 3 356.448 0.980 20 5 FCBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712117 488869541 /nfs/dbraw/zinc/86/95/41/488869541.db2.gz ISVUQAGTHFPCLK-AWEZNQCLSA-N 1 3 352.439 0.666 20 5 FCBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712117 488869545 /nfs/dbraw/zinc/86/95/45/488869545.db2.gz ISVUQAGTHFPCLK-AWEZNQCLSA-N 1 3 352.439 0.666 20 5 FCBDHO O=C(NC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261675620 488529703 /nfs/dbraw/zinc/52/97/03/488529703.db2.gz CEVVFGNCNFNJSP-UKRRQHHQSA-N 1 3 350.423 0.372 20 5 FCBDHO CN(C)CCNC(=O)c1cc(C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000274192075 488689395 /nfs/dbraw/zinc/68/93/95/488689395.db2.gz QJNKUTPYJPIUHZ-UHFFFAOYSA-N 1 3 351.407 0.178 20 5 FCBDHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001338064500 1260549448 /nfs/dbraw/zinc/54/94/48/1260549448.db2.gz SAWLMLLFGVZQBW-UHFFFAOYSA-N 1 3 365.434 0.794 20 5 FCBDHO CCN1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001356569175 868027148 /nfs/dbraw/zinc/02/71/48/868027148.db2.gz LTRXYPUWXRPJBS-OAHLLOKOSA-N 1 3 352.435 0.562 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000569962452 491206709 /nfs/dbraw/zinc/20/67/09/491206709.db2.gz YCGLOZIIOJHFON-PMPSAXMXSA-N 1 3 353.423 0.120 20 5 FCBDHO Cc1nn(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000530879912 490929728 /nfs/dbraw/zinc/92/97/28/490929728.db2.gz GPXJAYIXNBBVHN-UHFFFAOYSA-N 1 3 354.455 0.750 20 5 FCBDHO CN1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578007423 491667717 /nfs/dbraw/zinc/66/77/17/491667717.db2.gz POYFMGAQGNDVKK-HNNXBMFYSA-N 1 3 366.462 0.950 20 5 FCBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366601 667828047 /nfs/dbraw/zinc/82/80/47/667828047.db2.gz NONAYWWITNKNKL-CVEARBPZSA-N 1 3 350.419 0.314 20 5 FCBDHO COC(=O)COc1ccc(CNCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414881780 245331158 /nfs/dbraw/zinc/33/11/58/245331158.db2.gz LMGFRFJTMBBIGK-UHFFFAOYSA-N 1 3 352.391 0.141 20 5 FCBDHO O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592471113 546951616 /nfs/dbraw/zinc/95/16/16/546951616.db2.gz YOXFPDFWOOUQBK-MGPQQGTHSA-N 1 3 368.459 0.851 20 5 FCBDHO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000780848999 668490695 /nfs/dbraw/zinc/49/06/95/668490695.db2.gz IORBIKHFIYXRDX-UHFFFAOYSA-N 1 3 371.463 0.636 20 5 FCBDHO CCN1CCN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336734656 874033630 /nfs/dbraw/zinc/03/36/30/874033630.db2.gz YNKKVRWYNWFDME-INIZCTEOSA-N 1 3 352.435 0.562 20 5 FCBDHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000931489003 674117535 /nfs/dbraw/zinc/11/75/35/674117535.db2.gz XGNRPKLPIXJSJS-OAHLLOKOSA-N 1 3 353.419 0.723 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000569962451 491206611 /nfs/dbraw/zinc/20/66/11/491206611.db2.gz YCGLOZIIOJHFON-OWCLPIDISA-N 1 3 353.423 0.120 20 5 FCBDHO COc1ccc(OCCN2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430621451 489755876 /nfs/dbraw/zinc/75/58/76/489755876.db2.gz JUHKMFAQDGJBKZ-ZDUSSCGKSA-N 1 3 366.418 0.769 20 5 FCBDHO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000566245825 491430135 /nfs/dbraw/zinc/43/01/35/491430135.db2.gz VEZZAMUFKBVWJN-UHFFFAOYSA-N 1 3 373.461 0.888 20 5 FCBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000577396262 491618408 /nfs/dbraw/zinc/61/84/08/491618408.db2.gz REZMKGZKEIPSAQ-OAHLLOKOSA-N 1 3 353.419 0.771 20 5 FCBDHO NC1CC([NH2+]C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173693839 850732986 /nfs/dbraw/zinc/73/29/86/850732986.db2.gz ATDQIJNCKBOVIK-UHFFFAOYSA-N 1 3 354.432 0.827 20 5 FCBDHO [NH3+]C1CC(NC2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001173693839 850732990 /nfs/dbraw/zinc/73/29/90/850732990.db2.gz ATDQIJNCKBOVIK-UHFFFAOYSA-N 1 3 354.432 0.827 20 5 FCBDHO O=C(NC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)[C@H]1CCC[NH2+]1 ZINC000261845750 488538103 /nfs/dbraw/zinc/53/81/03/488538103.db2.gz LYFLZJWQBWLMEA-ZIAGYGMSSA-N 1 3 350.423 0.372 20 5 FCBDHO Cc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000130619102 488639479 /nfs/dbraw/zinc/63/94/79/488639479.db2.gz QVZBNMIPCKVJHR-UHFFFAOYSA-N 1 3 365.434 0.794 20 5 FCBDHO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490653768 489779561 /nfs/dbraw/zinc/77/95/61/489779561.db2.gz YIOFEHCADNPRPT-HYVNUMGLSA-N 1 3 366.466 0.110 20 5 FCBDHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005247 668970082 /nfs/dbraw/zinc/97/00/82/668970082.db2.gz ZLNBJPPOOQTGOX-GOEBONIOSA-N 1 3 350.419 0.805 20 5 FCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001340387507 1268531252 /nfs/dbraw/zinc/53/12/52/1268531252.db2.gz NEQRNZOJBUNYFL-UHFFFAOYSA-N 1 3 365.434 0.163 20 5 FCBDHO CN(CCN(C)C1CC[NH+](C)CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000089269379 208121062 /nfs/dbraw/zinc/12/10/62/208121062.db2.gz FUZAZNFQTOHEFR-UHFFFAOYSA-N 1 3 351.451 0.714 20 5 FCBDHO [NH3+]C[C@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948501 490504727 /nfs/dbraw/zinc/50/47/27/490504727.db2.gz SALKVAKOMANAOR-IUODEOHRSA-N 1 3 356.448 0.980 20 5 FCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000525930025 490654747 /nfs/dbraw/zinc/65/47/47/490654747.db2.gz DKKSNIQFWRVFET-UHFFFAOYSA-N 1 3 369.397 0.624 20 5 FCBDHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000270723579 211255082 /nfs/dbraw/zinc/25/50/82/211255082.db2.gz ROXVZCBHGWVEHY-UHFFFAOYSA-N 1 3 359.390 0.655 20 5 FCBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699679 488868497 /nfs/dbraw/zinc/86/84/97/488868497.db2.gz ZEEZVJWPYNSJHK-CQSZACIVSA-N 1 3 352.439 0.666 20 5 FCBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000299699679 488868499 /nfs/dbraw/zinc/86/84/99/488868499.db2.gz ZEEZVJWPYNSJHK-CQSZACIVSA-N 1 3 352.439 0.666 20 5 FCBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125592942 488602630 /nfs/dbraw/zinc/60/26/30/488602630.db2.gz FOPNKTZHKZPCRI-OAHLLOKOSA-N 1 3 366.466 0.974 20 5 FCBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000125592942 488602633 /nfs/dbraw/zinc/60/26/33/488602633.db2.gz FOPNKTZHKZPCRI-OAHLLOKOSA-N 1 3 366.466 0.974 20 5 FCBDHO C[NH+]1CCC(N2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000331424004 489209296 /nfs/dbraw/zinc/20/92/96/489209296.db2.gz ILJMGLJCWZOHCY-UHFFFAOYSA-N 1 3 364.450 0.856 20 5 FCBDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000514933709 490798797 /nfs/dbraw/zinc/79/87/97/490798797.db2.gz WCKZQOFOTDPLES-QGZVFWFLSA-N 1 3 366.462 0.950 20 5 FCBDHO COc1ccc(NC(=O)CC[NH2+]C2(CO)CCNCC2)c([N+](=O)[O-])c1 ZINC000595901741 491960378 /nfs/dbraw/zinc/96/03/78/491960378.db2.gz IHQSYMDIDFLLFN-UHFFFAOYSA-N 1 3 352.391 0.636 20 5 FCBDHO COc1cc(N2CCC(N3C[C@H](O)[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246581624 857584650 /nfs/dbraw/zinc/58/46/50/857584650.db2.gz SQAKQNHUXOXBTQ-LRDDRELGSA-N 1 3 350.419 0.824 20 5 FCBDHO CN1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000564863543 491331766 /nfs/dbraw/zinc/33/17/66/491331766.db2.gz IHLHZKUKPWBLBI-MRXNPFEDSA-N 1 3 366.462 0.950 20 5 FCBDHO O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592471111 546951319 /nfs/dbraw/zinc/95/13/19/546951319.db2.gz YOXFPDFWOOUQBK-HZSPNIEDSA-N 1 3 368.459 0.851 20 5 FCBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004486 668969716 /nfs/dbraw/zinc/96/97/16/668969716.db2.gz POVRBKSRGHQNAT-GDBMZVCRSA-N 1 3 350.419 0.805 20 5 FCBDHO CN1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578007424 491667805 /nfs/dbraw/zinc/66/78/05/491667805.db2.gz POYFMGAQGNDVKK-OAHLLOKOSA-N 1 3 366.462 0.950 20 5 FCBDHO CCN1CCN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001356569174 868026289 /nfs/dbraw/zinc/02/62/89/868026289.db2.gz LTRXYPUWXRPJBS-HNNXBMFYSA-N 1 3 352.435 0.562 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001325844319 870056629 /nfs/dbraw/zinc/05/66/29/870056629.db2.gz QCPPOKFXZBRODZ-XJKSGUPXSA-N 1 3 353.423 0.243 20 5 FCBDHO O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592471112 546951743 /nfs/dbraw/zinc/95/17/43/546951743.db2.gz YOXFPDFWOOUQBK-MELADBBJSA-N 1 3 368.459 0.851 20 5 FCBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366605 667828110 /nfs/dbraw/zinc/82/81/10/667828110.db2.gz NONAYWWITNKNKL-HZPDHXFCSA-N 1 3 350.419 0.314 20 5 FCBDHO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN[C@H](c2ccccc2)C1 ZINC001157759939 1223081890 /nfs/dbraw/zinc/08/18/90/1223081890.db2.gz YFNCSWSHYNQSGK-HNNXBMFYSA-N 1 3 369.429 0.945 20 5 FCBDHO O=C(NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845745 488538094 /nfs/dbraw/zinc/53/80/94/488538094.db2.gz LYFLZJWQBWLMEA-KBPBESRZSA-N 1 3 350.423 0.372 20 5 FCBDHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936311 490502197 /nfs/dbraw/zinc/50/21/97/490502197.db2.gz LZYZVJLIUDPBPC-DOMZBBRYSA-N 1 3 356.448 0.980 20 5 FCBDHO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCNC1(CO)CC[NH2+]CC1 ZINC000595896852 491959916 /nfs/dbraw/zinc/95/99/16/491959916.db2.gz LURNLYBVRNEEIY-UHFFFAOYSA-N 1 3 350.375 0.597 20 5 FCBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005249 668969983 /nfs/dbraw/zinc/96/99/83/668969983.db2.gz ZLNBJPPOOQTGOX-ZBFHGGJFSA-N 1 3 350.419 0.805 20 5 FCBDHO C[NH+](C)CC1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000931482771 674117167 /nfs/dbraw/zinc/11/71/67/674117167.db2.gz NRDXGXFMERHRCN-CQSZACIVSA-N 1 3 353.419 0.723 20 5 FCBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712118 488869450 /nfs/dbraw/zinc/86/94/50/488869450.db2.gz ISVUQAGTHFPCLK-CQSZACIVSA-N 1 3 352.439 0.666 20 5 FCBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000299712118 488869453 /nfs/dbraw/zinc/86/94/53/488869453.db2.gz ISVUQAGTHFPCLK-CQSZACIVSA-N 1 3 352.439 0.666 20 5 FCBDHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245647960 488465420 /nfs/dbraw/zinc/46/54/20/488465420.db2.gz BSQWNEXPWOCBLN-MRXNPFEDSA-N 1 3 354.455 0.110 20 5 FCBDHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000245647960 488465422 /nfs/dbraw/zinc/46/54/22/488465422.db2.gz BSQWNEXPWOCBLN-MRXNPFEDSA-N 1 3 354.455 0.110 20 5 FCBDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980121 490510539 /nfs/dbraw/zinc/51/05/39/490510539.db2.gz KWJPIQJEISPAKV-STQMWFEESA-N 1 3 356.448 0.980 20 5 FCBDHO O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCC[NH+]1CCC(O)CC1 ZINC000577396261 491618861 /nfs/dbraw/zinc/61/88/61/491618861.db2.gz REZMKGZKEIPSAQ-HNNXBMFYSA-N 1 3 353.419 0.771 20 5 FCBDHO COc1cc(N2CCC(N3C[C@@H](O)[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246587094 857584291 /nfs/dbraw/zinc/58/42/91/857584291.db2.gz SQAKQNHUXOXBTQ-BLLLJJGKSA-N 1 3 350.419 0.824 20 5 FCBDHO CN(C)CCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000192908234 488425234 /nfs/dbraw/zinc/42/52/34/488425234.db2.gz GSQLDLZNJGIVQK-UHFFFAOYSA-N 1 3 373.479 0.798 20 5 FCBDHO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000476385710 489883644 /nfs/dbraw/zinc/88/36/44/489883644.db2.gz BFUWAMQOOAGTMO-UHFFFAOYSA-N 1 3 350.423 0.617 20 5 FCBDHO [NH3+]C[C@H]1CCCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936313 490501880 /nfs/dbraw/zinc/50/18/80/490501880.db2.gz LZYZVJLIUDPBPC-IUODEOHRSA-N 1 3 356.448 0.980 20 5 FCBDHO [NH3+]CC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000422982973 490511541 /nfs/dbraw/zinc/51/15/41/490511541.db2.gz RWTBGMHHJHRGBD-UHFFFAOYSA-N 1 3 356.448 0.980 20 5 FCBDHO NCc1ccc2c(n1)N(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CCC2 ZINC001158648955 1223104460 /nfs/dbraw/zinc/10/44/60/1223104460.db2.gz HSJXKXMTVNDMCY-UHFFFAOYSA-N 1 3 370.417 0.732 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001325844313 870056761 /nfs/dbraw/zinc/05/67/61/870056761.db2.gz QCPPOKFXZBRODZ-BBRMVZONSA-N 1 3 353.423 0.243 20 5 FCBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819005246 668969861 /nfs/dbraw/zinc/96/98/61/668969861.db2.gz ZLNBJPPOOQTGOX-GDBMZVCRSA-N 1 3 350.419 0.805 20 5 FCBDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936317 490501845 /nfs/dbraw/zinc/50/18/45/490501845.db2.gz LZYZVJLIUDPBPC-WFASDCNBSA-N 1 3 356.448 0.980 20 5 FCBDHO [NH3+]C[C@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980118 490510242 /nfs/dbraw/zinc/51/02/42/490510242.db2.gz KWJPIQJEISPAKV-CHWSQXEVSA-N 1 3 356.448 0.980 20 5 FCBDHO O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592471110 546951678 /nfs/dbraw/zinc/95/16/78/546951678.db2.gz YOXFPDFWOOUQBK-BFHYXJOUSA-N 1 3 368.459 0.851 20 5 FCBDHO [NH3+]CC1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000843345139 1222871111 /nfs/dbraw/zinc/87/11/11/1222871111.db2.gz UVIFNQDOIOQBQB-UHFFFAOYSA-N 1 3 361.446 0.914 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001604689917 1287735155 /nfs/dbraw/zinc/73/51/55/1287735155.db2.gz HXCWKLNCTSBCDO-ZIAGYGMSSA-N 1 3 374.449 0.951 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001604689917 1287735160 /nfs/dbraw/zinc/73/51/60/1287735160.db2.gz HXCWKLNCTSBCDO-ZIAGYGMSSA-N 1 3 374.449 0.951 20 5 FCBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130535870 488637930 /nfs/dbraw/zinc/63/79/30/488637930.db2.gz DYAAASAAZUUBEK-UHFFFAOYSA-N 1 3 365.434 0.794 20 5 FCBDHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000530641364 490917216 /nfs/dbraw/zinc/91/72/16/490917216.db2.gz PHLBVFFJIHWYIV-UHFFFAOYSA-N 1 3 365.434 0.276 20 5 FCBDHO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366603 667827948 /nfs/dbraw/zinc/82/79/48/667827948.db2.gz NONAYWWITNKNKL-HOTGVXAUSA-N 1 3 350.419 0.314 20 5 FCBDHO C[NH+]1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000050799094 488114505 /nfs/dbraw/zinc/11/45/05/488114505.db2.gz DIMZQUNDELGUSU-UHFFFAOYSA-N 1 3 350.423 0.466 20 5 FCBDHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948502 490504653 /nfs/dbraw/zinc/50/46/53/490504653.db2.gz SALKVAKOMANAOR-SWLSCSKDSA-N 1 3 356.448 0.980 20 5 FCBDHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980119 490510493 /nfs/dbraw/zinc/51/04/93/490510493.db2.gz KWJPIQJEISPAKV-OLZOCXBDSA-N 1 3 356.448 0.980 20 5 FCBDHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000514933708 490798731 /nfs/dbraw/zinc/79/87/31/490798731.db2.gz WCKZQOFOTDPLES-KRWDZBQOSA-N 1 3 366.462 0.950 20 5 FCBDHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004488 668969935 /nfs/dbraw/zinc/96/99/35/668969935.db2.gz POVRBKSRGHQNAT-HOCLYGCPSA-N 1 3 350.419 0.805 20 5 FCBDHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819004489 668970049 /nfs/dbraw/zinc/97/00/49/668970049.db2.gz POVRBKSRGHQNAT-ZBFHGGJFSA-N 1 3 350.419 0.805 20 5 FCBDHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923489614 1245724748 /nfs/dbraw/zinc/72/47/48/1245724748.db2.gz PXJRQFGXJLWOAF-OAHLLOKOSA-N 1 3 361.446 0.914 20 5 FCBDHO O=C(NC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261675616 488530062 /nfs/dbraw/zinc/53/00/62/488530062.db2.gz CEVVFGNCNFNJSP-DZGCQCFKSA-N 1 3 350.423 0.372 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H]1C[NH+](C)C ZINC001591021551 1284076916 /nfs/dbraw/zinc/07/69/16/1284076916.db2.gz PVULXMLLXUBCCU-CHWSQXEVSA-N 1 3 374.449 0.951 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H]1C[NH+](C)C ZINC001591021551 1284076925 /nfs/dbraw/zinc/07/69/25/1284076925.db2.gz PVULXMLLXUBCCU-CHWSQXEVSA-N 1 3 374.449 0.951 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001325844315 870057137 /nfs/dbraw/zinc/05/71/37/870057137.db2.gz QCPPOKFXZBRODZ-CJNGLKHVSA-N 1 3 353.423 0.243 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000562994630 491206720 /nfs/dbraw/zinc/20/67/20/491206720.db2.gz DMTFMTSSBMESEL-ZACQAIPSSA-N 1 3 367.450 0.510 20 5 FCBDHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562997892 491206812 /nfs/dbraw/zinc/20/68/12/491206812.db2.gz SEKRONMAJWYZMF-MRXNPFEDSA-N 1 3 366.462 0.950 20 5 FCBDHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422936315 490501891 /nfs/dbraw/zinc/50/18/91/490501891.db2.gz LZYZVJLIUDPBPC-SWLSCSKDSA-N 1 3 356.448 0.980 20 5 FCBDHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422948500 490505236 /nfs/dbraw/zinc/50/52/36/490505236.db2.gz SALKVAKOMANAOR-DOMZBBRYSA-N 1 3 356.448 0.980 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001591021111 1284077114 /nfs/dbraw/zinc/07/71/14/1284077114.db2.gz CVBWQNCDRKNXRW-CHWSQXEVSA-N 1 3 374.449 0.951 20 5 FCBDHO C[NH+](C)C[C@@H]1CN(c2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001591021111 1284077123 /nfs/dbraw/zinc/07/71/23/1284077123.db2.gz CVBWQNCDRKNXRW-CHWSQXEVSA-N 1 3 374.449 0.951 20 5 FCBDHO CCN1CCN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001336734657 874032672 /nfs/dbraw/zinc/03/26/72/874032672.db2.gz YNKKVRWYNWFDME-MRXNPFEDSA-N 1 3 352.435 0.562 20 5 FCBDHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000931489000 674117494 /nfs/dbraw/zinc/11/74/94/674117494.db2.gz XGNRPKLPIXJSJS-HNNXBMFYSA-N 1 3 353.419 0.723 20 5 FCBDHO COC(=O)c1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000531118647 490941816 /nfs/dbraw/zinc/94/18/16/490941816.db2.gz IUAIVUCQIIWTMK-UHFFFAOYSA-N 1 3 366.418 0.947 20 5 FCBDHO O=C(NC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)[C@H]1CCC[NH2+]1 ZINC000261845748 488538070 /nfs/dbraw/zinc/53/80/70/488538070.db2.gz LYFLZJWQBWLMEA-UONOGXRCSA-N 1 3 350.423 0.372 20 5 FCBDHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562997891 491206823 /nfs/dbraw/zinc/20/68/23/491206823.db2.gz SEKRONMAJWYZMF-INIZCTEOSA-N 1 3 366.462 0.950 20 5 FCBDHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422980120 490509949 /nfs/dbraw/zinc/50/99/49/490509949.db2.gz KWJPIQJEISPAKV-QWHCGFSZSA-N 1 3 356.448 0.980 20 5 FCBDHO CN1CCC(N2CCC([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000579582043 491700877 /nfs/dbraw/zinc/70/08/77/491700877.db2.gz HWIGTIKJCYKFFF-KRWDZBQOSA-N 1 3 366.466 0.300 20 5 FCBDHO O=[N+]([O-])c1cccc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000583204395 491840158 /nfs/dbraw/zinc/84/01/58/491840158.db2.gz JWTDDQVAIHYTBM-MRXNPFEDSA-N 1 3 353.419 0.771 20 5 FCBDHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000414703742 245315077 /nfs/dbraw/zinc/31/50/77/245315077.db2.gz LWZDJBLXSSLSNS-OAHLLOKOSA-N 1 3 361.446 0.914 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000569962449 491206701 /nfs/dbraw/zinc/20/67/01/491206701.db2.gz YCGLOZIIOJHFON-BZUAXINKSA-N 1 3 353.423 0.120 20 5 FCBDHO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173962936 488846492 /nfs/dbraw/zinc/84/64/92/488846492.db2.gz FBVWPSYMTPBWMS-MRXNPFEDSA-N 1 3 367.450 0.729 20 5 FCBDHO COc1ccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430621446 489756717 /nfs/dbraw/zinc/75/67/17/489756717.db2.gz JUHKMFAQDGJBKZ-CYBMUJFWSA-N 1 3 366.418 0.769 20 5 FCBDHO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490653770 489779232 /nfs/dbraw/zinc/77/92/32/489779232.db2.gz YIOFEHCADNPRPT-PVAVHDDUSA-N 1 3 366.466 0.110 20 5 FCBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000602786488 491998420 /nfs/dbraw/zinc/99/84/20/491998420.db2.gz GDAFYENRHIEYFK-UHFFFAOYSA-N 1 3 352.439 0.490 20 5 FCBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923365024 667827965 /nfs/dbraw/zinc/82/79/65/667827965.db2.gz FGPWHQDJMGOABQ-HUUCEWRRSA-N 1 3 350.419 0.314 20 5 FCBDHO COC(=O)c1cc([N+](=O)[O-])c(NC(=[NH2+])N2CCN(C)CC2)cc1OC ZINC001168740400 850592960 /nfs/dbraw/zinc/59/29/60/850592960.db2.gz IAVADRHZIFRTIO-UHFFFAOYSA-N 1 3 351.363 0.984 20 5 FCBDHO C[NH+](C)CC1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000931482719 674116974 /nfs/dbraw/zinc/11/69/74/674116974.db2.gz NRDXGXFMERHRCN-AWEZNQCLSA-N 1 3 353.419 0.723 20 5 FCBDHO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000595901132 491960493 /nfs/dbraw/zinc/96/04/93/491960493.db2.gz ATTGBSLVOMQFNS-UHFFFAOYSA-N 1 3 352.391 0.636 20 5 FCBDHO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923365025 667828142 /nfs/dbraw/zinc/82/81/42/667828142.db2.gz FGPWHQDJMGOABQ-LSDHHAIUSA-N 1 3 350.419 0.314 20 5 FCBDHO O=[N+]([O-])c1cnc(-n2nc(C(F)(F)F)c3c2CCNC3)nc1C1C[NH2+]C1 ZINC001154855139 1223020387 /nfs/dbraw/zinc/02/03/87/1223020387.db2.gz UWDBSYVWUDNVBN-UHFFFAOYSA-N 1 3 369.307 0.922 20 5 FCBDHO